From owner-chemistry@ccl.net Wed Jan 21 01:20:01 2015 From: "Dan T Major majort,+,biu.ac.il" To: CCL Subject: CCL: Isotopes 2015 conference in Jerusalem in June Message-Id: <-50934-150121011332-29106-3meqAvrNldB3ZY8pm0woag**server.ccl.net> X-Original-From: "Dan T Major" Date: Wed, 21 Jan 2015 01:13:30 -0500 Sent to CCL by: "Dan T Major" [majort,+,biu.ac.il] Dear Colleagues, We are pleased to invite you to participate in the Isotopes 2015 conference, which will take place in Jerusalem, Israel, from June 21st-26th, 2015. The Isotopes conference is a multi-disciplinary scientific event bringing together the best scientists from around the world, who have at least one common interest: Isotopes! There will be several sessions on computational treatment of isotopes. Invited speakers include: Hagit Affek - Yale University Mark Altabet - University of Massachusetts Ariel Anbar - Arizona State University Martin Elsner - Helmholtz Zentrum Munchen James Farquhar - University of Maryland Giovanni Gadda - Georgia State University Yaron Ilan - Hadassa Medical Center, Hebrew University Johannes Kaestner - University of Stuttgart Amnon Kohen - University of Iowa Yehoshua Kolodny - Hebrew University Boaz Luz - Hebrew University Anil S. Modak - Cambridge Isotopes Piotr Paneth - Lodz University of Technology Thomas Prohaska - University of Natural Res. Life Sci., Vienne Justin P. Roth - Johns Hopkins University Peter Schreiner - University of Giessen Steve Schwartz - University of Arizona Inaki Tunon - Universitat de Valencia Important dates: Nov. 2014: Pre-registration opens Jan. 2015: Registration and abstract submission Apr. 2015: Introduction of increased registration fee May 2015: Notification of acceptance of presentations June 2015: The conference Isotopes2015 More information can be found on the conference website at http://isotopes2015.conferences-travel-nevet.com We would be glad if you could forward this information to other potentially interested researchers (especially PhD students working in the field) and post it in your institutions. We look forward to meeting you in Jerusalem. Best Regards Faina Gelman (faina-,-gsi.gov.il), Ludwik Halicz (Ludwik-,-gsi.gov.il) and Dan Thomas Major (major-,-biu.ac.il) From owner-chemistry@ccl.net Wed Jan 21 08:51:01 2015 From: "Hemlata Agarwala cclhemlata*o*gmail.com" To: CCL Subject: CCL:G: help with optimization Message-Id: <-50935-150121084611-2537-sAECcJbtmqmPmERyAXklJg/a\server.ccl.net> X-Original-From: Hemlata Agarwala Content-Type: multipart/alternative; boundary=047d7b10d02be483b8050d29c6a3 Date: Wed, 21 Jan 2015 14:46:05 +0100 MIME-Version: 1.0 Sent to CCL by: Hemlata Agarwala [cclhemlata*gmail.com] --047d7b10d02be483b8050d29c6a3 Content-Type: text/plain; charset=UTF-8 Thanks Mariusz for your suggestion On Wed, Jan 14, 2015 at 5:39 PM, Mariusz Radon mariusz.radon^_^gmail.com < owner-chemistry- -ccl.net> wrote: > > Sent to CCL by: Mariusz Radon [mariusz.radon,+,gmail.com] > On 01/14/2015 12:23 PM, Hemlata Agarwala cclhemlata..gmail.com wrote: > > Hi everyone > > > > I am not very well acquainted with DFT. > > I have optimized a molecule and done frequency calculations on it. I > > have obtained a single point geometry and there is no negative > > frequency. Also, the output file shows "Normal termination of Gaussian". > > Is this information enough to conclude that the single point geometry > > which I have obtained is the minimum energy of the molecule and that the > > molecule is stable in that geometry, or do I need to do some other > > calculation(s) to arrive to the conclusion? > > Dear Hemlata, > > first of all, a little correction on terminology: the term "single > point" [calculations] is used when you calculate an energy for a fixed > structure (i.e., w/o optimization). But if you optimized the geometry > you should call it "the optimized geometry," not "single point geometry." > > When you optimized the geometry and there is no negative frequency, it > means that your structure corresponds to a local minimum on the > potential energy surface. In this sense you, indeed, obtained a stable > structure (i.e., not a transition state). > > However, it does not mean that your _local_ minimum is the _global_ > minimum. Your molecule may have other energy minima (other conformers). > To be sure what is the global minimum, you need to calculate the other > conformations explicitly. This is, in general, very difficult and time > consuming. So, think if your system may have some conformational diversity. > > Clearly, your result also does not mean that your molecule is "stable" > in the usual chemical sense: it may be very reactive (for instance with > solvent) and thus "unstable" from an experimental point of view. But > this is probably too obvious to discuss... > > > > One point to mention is that, when I open the single point geometry in a > > graphical visualization software like chemcraft, it shows a bond missing > > between the metal and one of the donor atoms in the molecule. What does > > this imply? Is it something very serious to ponder upon or should I just > > ignore it? > > > > This implies that the bond length is too large compared with the sum of > VdW radii (or other atomic radii), which are used by your program to > make decision whether to draw a bond or not. That a bond is not drawn > happens quite often for TM complexes, and there is nothing to worry > about. You should look at the bond distance between the atoms, even if > the bond is not drawn graphically. > > Take care, > Mariusz > > > -- > Dr Mariusz Radon, Ph.D. > Coordination Chemistry Group > Faculty of Chemistry > Jagiellonian University > ul. Ingardena 3, 30-060 Krakow, Poland > http://www2.chemia.uj.edu.pl/~mradon> > > --047d7b10d02be483b8050d29c6a3 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Thanks=C2=A0M= ariusz for your suggestion

On Wed, Jan 14, 2015 at 5:39 PM, Mariusz Radon marius= z.radon^_^gmail.com <= owner-chemistr= y- -ccl.net> wrote:

Sent to CCL by: Mariusz Radon [mariusz.radon,+,gmail.com]
On 01/14/2015 12:23 PM, Hemlata Agarwala cclhemlata..gmail.com wrote:
> Hi everyone
>
> I am not very well acquainted with DFT.
> I have optimized a molecule and done frequency calculations on it. I > have obtained a single point geometry and there is no negative
> frequency. Also, the output file shows "Normal termination of Gau= ssian".
> Is this information enough to conclude that the single point geometry<= br> > which I have obtained is the minimum energy of the molecule and that t= he
> molecule is stable in that geometry, or do I need to do some other
> calculation(s) to arrive to the conclusion?

Dear Hemlata,

first of all, a little correction on terminology: the term "single
point" [calculations] is used when you calculate an energy for a fixed=
structure (i.e., w/o optimization). But if you optimized the geometry
you should call it "the optimized geometry," not "single poi= nt geometry."

When you optimized the geometry and there is no negative frequency, it
means that your structure corresponds to a local minimum on the
potential energy surface. In this sense you, indeed, obtained a stable
structure (i.e., not a transition state).

However, it does not mean that your _local_ minimum is the _global_
minimum. Your molecule may have other energy minima (other conformers).
To be sure what is the global minimum, you need to calculate the other
conformations explicitly. This is, in general, very difficult and time
consuming. So, think if your system may have some conformational diversity.=

Clearly, your result also does not mean that your molecule is "stable&= quot;
in the usual chemical sense: it may be very reactive (for instance with
solvent) and thus "unstable" from an experimental point of view. = But
this is probably too obvious to discuss...


> One point to mention is that, when I open the single point geometry in= a
> graphical visualization software like chemcraft, it shows a bond missi= ng
> between the metal and one of the donor atoms in the molecule. What doe= s
> this imply? Is it something very serious to ponder upon or should I ju= st
> ignore it?
>

This implies that the bond length is too large compared with the sum= of
VdW radii (or other atomic radii), which are used by your program to
make decision whether to draw a bond or not. That a bond is not drawn
happens quite often for TM complexes, and there is nothing to worry
about. You should look at the bond distance between the atoms, even if
the bond is not drawn graphically.

Take care,
Mariusz


--
Dr Mariusz Radon, Ph.D.
Coordination Chemistry Group
Faculty of Chemistry
Jagiellonian University
ul. Ingardena 3, 30-060 Krakow, Poland
http://w= ww2.chemia.uj.edu.pl/~mradon



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--047d7b10d02be483b8050d29c6a3-- From owner-chemistry@ccl.net Wed Jan 21 09:50:01 2015 From: "Hemlata Agarwala cclhemlata]|[gmail.com" To: CCL Subject: CCL: regarding spin densities Message-Id: <-50936-150121085007-2760-GCUTlXm1ZnD3BSNkVcy55A**server.ccl.net> X-Original-From: Hemlata Agarwala Content-Type: multipart/alternative; boundary=089e0160b75a155d2b050d29d53b Date: Wed, 21 Jan 2015 14:50:03 +0100 MIME-Version: 1.0 Sent to CCL by: Hemlata Agarwala [cclhemlata-*-gmail.com] --089e0160b75a155d2b050d29d53b Content-Type: text/plain; charset=UTF-8 Hi everyone I have done geometry optimization of a transition metal complex using UB3LYP since it contains unpaired electrons. I have also included the keyword POP=(NBO,Full) in the input route so that I get the spin densities on the atoms too. But when I am opening the output file in a graphical visualisation software like chemcraft I do not get any option to see the spin density values on individual atoms. Could you please help me out Thanking you Regards Hemlata --089e0160b75a155d2b050d29d53b Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi everyone

I have done geometry optimi= zation of a transition metal complex using UB3LYP since it contains unpaire= d electrons. I have also included the keyword POP=3D(NBO,Full) in the input= route so that I get the spin densities on the atoms too.

But when I am opening the output file in a graphical visualisation = software like chemcraft I do not get any option to see the spin density val= ues on individual atoms.

Could you please help me = out=C2=A0

Thanking you

Re= gards
Hemlata
--089e0160b75a155d2b050d29d53b-- From owner-chemistry@ccl.net Wed Jan 21 10:24:01 2015 From: "berger|chem.helsinki.fi" To: CCL Subject: CCL:G: ACID software Message-Id: <-50937-150121084728-2635-q/1HiNs5Wg21IDKrdsoXFA,,server.ccl.net> X-Original-From: berger[]chem.helsinki.fi Content-Transfer-Encoding: 8bit Content-Type: text/plain;charset=iso-8859-1 Date: Wed, 21 Jan 2015 15:40:24 +0200 MIME-Version: 1.0 Sent to CCL by: berger-,-chem.helsinki.fi PS: Not to forget a recent release of GIMIC which also has ACID implemented, but I am not sure if this is already officially released. In case of interest you should contact Heike Fliegl in Oslo. > Sent to CCL by: berger|-|chem.helsinki.fi > Hello, > > citing Rainer Herges group web-site: > "ACID is implemented in Gaussian® 09 since Revision D.01. To obtain the > ACID software package, feel free to contact us by e-mail (rherges [at] > oc.uni-kiel.de)." > > best regards > R.B. > >> Sent to CCL by: "Tanay Debnath" [tanay.iitk^^gmail.com] >> i would like to do a anisotropy of the current-induced density (ACID) >> plot >> for a organic molecule. Could you suggest me to use a convenient free >> program?> > > From owner-chemistry@ccl.net Wed Jan 21 12:59:01 2015 From: "Jim Kress jimkress35{=}gmail.com" To: CCL Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Message-Id: <-50938-150121114304-8197-j+bHiDMgTltSqE/+fusqeg[-]server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Wed, 21 Jan 2015 11:42:35 -0500 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [jimkress35,+,gmail.com] Did you make sure the feminist quota has been met or exceeded? You wouldn't want the Feminist harpies and their male sycophants descending upon you again, with threats and boycotts. Jim Kress -----Original Message----- > From: owner-chemistry+jimkress35==gmail.com]*[ccl.net [mailto:owner-chemistry+jimkress35==gmail.com]*[ccl.net] On Behalf Of Vincent lee to_wenqiangli|a|163.com Sent: Tuesday, January 20, 2015 11:29 AM To: Kress, Jim Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Sent to CCL by: "Vincent lee" [to_wenqiangli_-_163.com] Dear Colleagues, The 15th International Congress of Quantum Chemistry (ICQC) will take place in Beijing, June 8-13, 2015. The registration will be opened by Oct 1, 2014. Please browse http://www.icqc2015.org/. The following eminent theoretical chemists have accepted the invitation for lectures: Millard Alexander (U Maryland), Yuriko Aoki (Kyushu U), Paul Ayers (McMaster U), Joel Bowman (Emory U), Ria Broer-Braam (Groningen U), Filipp Furche (UC Irvine), Jiali Gao (U Minnesota), Yiqin Gao (Peking U), Stefan Grimme (U Bonn), Sharon Hammes-Schiffer (UIUC), Martin Head-Gordon (UC Berkeley), Dudley Herschbach (Harvard, Nobel Laureate), Roald Hoffmann (Cornell U, Nobel Laureate), Kendall Houk (UCLA), Denis Jacquemin (U Nantes), Poul Jrgensen (U Aarhus), Kwang S. Kim (Ulsan), Wanzhen Liang (Xiamen U), Carmay Lim (Acad Sinica), Yi Luo (KTH), Rudolf Marcus (Caltech, Nobel Laureate), Benedetta Mennucci (U Pisa), Josef Michl (U Colorado), Keiji Morokuma (U Kyoto), Hiroshi Nakatsuji (QCRI), Jozef Noga (Comenius U), Oleg Prezhdo (U So Calif), Leo Radom (U Sydney), Lucia Reining(Ecole Polytech), Andreas Savin (UPMC), George Schatz (Northwester U), H. Bernhard Schlegel (Wayne State U), Tamar Seideman (Northwestern U), Juha Vaara (U Oulu), Xin Xu (Fudan U), Yijing Yan (Hong Kong UST), Xueming Yang (DICP), Donghui Zhang (DICP) The registration fee is 350 EUROs (regular) and 175 EUROs (student), which covers (i) conference and reception, coffee breaks, all the lunches; (ii) tour to the Great Wall; (iii) refreshments in the four poster sessions. The conference venue will be in the Tsinghua University Campus (ranked by Forbes as one of the 14 most beautiful University Campuses in the world, only one from Asia), easy connected by subways and other public transport. Many hotels, restaurants, supermarkets, cafes are within the distance of 20-minute walk. You may also easily rent a bicycle for one week or even one month for less than 10 EUROs. Beijing is a fantastic place to see. And this is the very first ICQC in China. Please check the air quality of Beijing in http://aqicn.org/city/beijing/ : Beijing is not much worse than other megacities like Tokyo or New York on average. The air quality in the first half of June will be satisfactory and it is sure that you will enjoy the sunshine and the cosy temperature. There will be eight satellite meetings featuring on specialized directions of theoretical and computational chemistry. Please consult the website. Please mark your calendar. We look forward to welcoming you in China! Sincerely, Zhigang Shuai, Weihai Fang, Wenjian Liu, Weitao Yang Organizing Committee of the 15th ICQC http://www.icqc2015.org/http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Wed Jan 21 13:38:00 2015 From: "Mehdi Esrafili m_esrafili,+,yahoo.com" To: CCL Subject: CCL: regarding spin densities Message-Id: <-50939-150121132757-1368-3DqbwPzFkhsncOBW1pd5Qw|server.ccl.net> X-Original-From: Mehdi Esrafili Content-Type: multipart/alternative; boundary="----=_Part_4636151_1733280193.1421864870186" Date: Wed, 21 Jan 2015 18:27:50 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: Mehdi Esrafili [m_esrafili : yahoo.com] ------=_Part_4636151_1733280193.1421864870186 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable For=C2=A0 visualization of spin density by chemcraft, you should first prov= ide a cube file from your chk file. =C2=A0=C2=A0---------------------------------------------------------------= ---------------------------------------------------------------=C2=A0=C2=A0= `The man who makes no mistakes does not usually make anything.'=C2=A0=C2=A0= =C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2= =A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0= =C2=A0=C2=A0=C2=A0=C2=A0=C2=A0=C2=A0 Edward John Phelps (1822-1900)--------= ---------------------------------------------------------------------------= -------------------------------------------=20 Mehdi D. Esrafili, Ph.D.Assistant Professor of Physical Chemistry=C2=A0 Current address:=C2=A0Department of Chemistry, Faculty of Basic Sciences,Un= iversity ofMaragheh, Iran. E-mail 1: m_esrafili]=[yahoo.com=20 E-mail 2: esrafili]=[maragheh.ac.ir------------------------------------------= ---------------------------------------------------------------------------= --------- =20 On Wednesday, January 21, 2015 8:53 AM, Hemlata Agarwala cclhemlata]|[= gmail.com wrote: =20 Hi everyone I have done geometry optimization of a transition metal complex using UB3LY= P since it contains unpaired electrons. I have also included the keyword PO= P=3D(NBO,Full) in the input route so that I get the spin densities on the a= toms too. But when I am opening the output file in a graphical visualisation software= like chemcraft I do not get any option to see the spin density values on i= ndividual atoms. Could you please help me out=C2=A0 Thanking you RegardsHemlata ------=_Part_4636151_1733280193.1421864870186 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
For  visualization of spin density by chemcraft, you sho= uld first provide a cube file from your chk file.
 
 
--------= ---------------------------------------------------------------------------= -------------------------------------------  
`The man= who makes no mistakes does not usually make anything.'
 &n= bsp;            = ;            &n= bsp;       Edward John Phelps (1822-1900)
-------------------------------------------------------------------= -----------------------------------------------------------
Mehdi D. Es= rafili, Ph.D.
Assistant Professor of Physical Chemistry Current address: Depart= ment of Chemistry,
Faculty of Basic Sciences,University of<= /div>
Maragheh, Iran.
E-mail 1: m_esrafili]=[yahoo.com =
E-mail 2: esrafili]=[maragheh.ac.ir
<= div>------------------------------= ---------------------------------------------------------------------------= ---------------------


O= n Wednesday, January 21, 2015 8:53 AM, Hemlata Agarwala cclhemlata]|[gmail.= com <owner-chemistry]=[ccl.net> wrote:


Hi e= veryone

I have done geometry optimization of a transitio= n metal complex using UB3LYP since it contains unpaired electrons. I have a= lso included the keyword POP=3D(NBO,Full) in the input route so that I get = the spin densities on the atoms too.

But when I am= opening the output file in a graphical visualisation software like chemcra= ft I do not get any option to see the spin density values on individual ato= ms.

Could you please help me out 
<= br>
Thanking you

Regards
Hemla= ta


------=_Part_4636151_1733280193.1421864870186-- From owner-chemistry@ccl.net Wed Jan 21 14:12:01 2015 From: "Mezei, Mihaly mihaly.mezei^_^mssm.edu" To: CCL Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Message-Id: <-50940-150121133809-6865-xWYC+K4Jj3yW7JW3WRfmHQ*server.ccl.net> X-Original-From: "Mezei, Mihaly" Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Wed, 21 Jan 2015 18:36:56 +0000 MIME-Version: 1.0 Sent to CCL by: "Mezei, Mihaly" [mihaly.mezei,mssm.edu] > Did you make sure the feminist quota has been met or exceeded? You wouldn't want the Feminist harpies and their male sycophants descending upon you again, with threats and boycotts. Jim Kress -------------- Jim, that was totally uncalled for. Mihaly Mezei Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai Voice: (212) 659-5475 Fax: (212) 849-2456 WWW (MSSM home): http://www.mountsinai.org/Find%20A%20Faculty/profile.do?id=0000072500001497192632 WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei WWW (Department): http://www.mssm.edu/departments-and-institutes/structural-and-chemical-biology From owner-chemistry@ccl.net Wed Jan 21 15:10:01 2015 From: "Jim Kress jimkress35^^^gmail.com" To: CCL Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Message-Id: <-50941-150121150752-5417-Bred89wwmnev8sg/AZCy/A]|[server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="US-ASCII" Date: Wed, 21 Jan 2015 15:07:25 -0500 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [jimkress35 : gmail.com] No, it wasn't. Not after the scatological and hellish vituperation and malicious personal attacks the Feminist harpies and their male sycophants launched against me and others who dared to disagree with them, previously, regarding a similar meeting. People need to be reminded of their malice and pernicious attempt to squash dissent and impose their agenda on others who they attempted, in the best Stalinist style, to intimidate and silence. Jim -----Original Message----- > From: owner-chemistry+jimkress35==gmail.com{}ccl.net [mailto:owner-chemistry+jimkress35==gmail.com{}ccl.net] On Behalf Of Mezei, Mihaly mihaly.mezei^_^mssm.edu Sent: Wednesday, January 21, 2015 1:37 PM To: Kress, Jim Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Sent to CCL by: "Mezei, Mihaly" [mihaly.mezei,mssm.edu] > Did you make sure the feminist quota has been met or exceeded? You > wouldn't want the Feminist harpies and their male sycophants descending upon you again, with threats and boycotts. Jim Kress -------------- Jim, that was totally uncalled for. Mihaly Mezei Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai Voice: (212) 659-5475 Fax: (212) 849-2456 WWW (MSSM home): http://www.mountsinai.org/Find%20A%20Faculty/profile.do?id=00000725000014971 92632 WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei WWW (Department): http://www.mssm.edu/departments-and-institutes/structural-and-chemical-biolo gyhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Wed Jan 21 17:00:00 2015 From: "Daniil Bratashov dn2010++gmail.com" To: CCL Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Message-Id: <-50942-150121165144-26604-UGDCcJVilowrepIFmAWPkQ%%server.ccl.net> X-Original-From: Daniil Bratashov Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=US-ASCII Date: Thu, 22 Jan 2015 00:51:33 +0300 MIME-Version: 1.0 Sent to CCL by: Daniil Bratashov [dn2010^_^gmail.com] On Wed, 21 Jan 2015 15:07:25 -0500 "Jim Kress jimkress35^^^gmail.com" wrote: > in the best Stalinist style. > From the plow to the atomic bomb, kicking Hitler from Moscow to Berlin non-stop in the meantime? :] WBR, Daniil Bratashov. From owner-chemistry@ccl.net Wed Jan 21 17:35:01 2015 From: "Mezei, Mihaly mihaly.mezei]![mssm.edu" To: CCL Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Message-Id: <-50943-150121171939-1664-g2n1pCPgswUh7ySaHI1xQg===server.ccl.net> X-Original-From: "Mezei, Mihaly" Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Wed, 21 Jan 2015 22:17:59 +0000 MIME-Version: 1.0 Sent to CCL by: "Mezei, Mihaly" [mihaly.mezei~!~mssm.edu] Jim, here is a joke that describes the 'Stalinist style': While Stalin gives a speech somebody in the audience sneezes. Stalin stops and asks who sneezed. Nobody speaks up - Stalin orders the first row to be taken out and shot. Stalin asks again. Still no answer. There goes the next row. Finally someone says, in a dying voice: It was me, comrade Stalin. At which Stalin answers: But comrade! You should take better care of yourself! Is that what happened to you? Mihaly ________________________________________ > From: owner-chemistry+mihaly.mezei==mssm.edu,,ccl.net [owner-chemistry+mihaly.mezei==mssm.edu,,ccl.net] on behalf of Jim Kress jimkress35^^^gmail.com [owner-chemistry,,ccl.net] Sent: Wednesday, January 21, 2015 3:07 PM To: Mezei, Mihaly Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Sent to CCL by: "Jim Kress" [jimkress35 : gmail.com] No, it wasn't. Not after the scatological and hellish vituperation and malicious personal attacks the Feminist harpies and their male sycophants launched against me and others who dared to disagree with them, previously, regarding a similar meeting. People need to be reminded of their malice and pernicious attempt to squash dissent and impose their agenda on others who they attempted, in the best Stalinist style, to intimidate and silence. Jim -----Original Message----- > From: owner-chemistry+jimkress35==gmail.com=-=ccl.net [mailto:owner-chemistry+jimkress35==gmail.com=-=ccl.net] On Behalf Of Mezei, Mihaly mihaly.mezei^_^mssm.edu Sent: Wednesday, January 21, 2015 1:37 PM To: Kress, Jim Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Sent to CCL by: "Mezei, Mihaly" [mihaly.mezei,mssm.edu] > Did you make sure the feminist quota has been met or exceeded? You > wouldn't want the Feminist harpies and their male sycophants descending upon you again, with threats and boycotts. Jim Kress -------------- Jim, that was totally uncalled for. Mihaly Mezei Department of Structural and Chemical Biology, Icahn School of Medicine at Mount Sinai Voice: (212) 659-5475 Fax: (212) 849-2456 WWW (MSSM home): http://www.mountsinai.org/Find%20A%20Faculty/profile.do?id=00000725000014971 92632 WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei WWW (Department): http://www.mssm.edu/departments-and-institutes/structural-and-chemical-biolo gyhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txthttps://urldefense.proofpoint.com/v2/url?u=http-3A__www.ccl.net_cgi-2Dbin_ccl_send-5Fccl-5Fmessage&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=6dsYXK55zWOkLVflQOEWu0S_msYDHjDcoooJgQe8aN0&m=3wyVtSKqiadLIZPGKJz2xEGx2PFVnQUPsHgCr7PJ0Gw&s=N9fhEkkuThC4rL9Pp1OYpmHseH3EJ93T9Wu4UygcASM&e=https://urldefense.proofpoint.com/v2/url?u=http-3A__www.ccl.net_cgi-2Dbin_ccl_send-5Fccl-5Fmessage&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=6dsYXK55zWOkLVflQOEWu0S_msYDHjDcoooJgQe8aN0&m=3wyVtSKqiadLIZPGKJz2xEGx2PFVnQUPsHgCr7PJ0Gw&s=N9fhEkkuThC4rL9Pp1OYpmHseH3EJ93T9Wu4UygcASM&e=https://urldefense.proofpoint.com/v2/url?u=http-3A__www.ccl.net_chemistry_sub-5Funsub.shtml&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=6dsYXK55zWOkLVflQOEWu0S_msYDHjDcoooJgQe8aN0&m=3wyVtSKqiadLIZPGKJz2xEGx2PFVnQUPsHgCr7PJ0Gw&s=FzNGuuUx-oNrLZ4gFTImKFU0ITRa5Um2WP_grpIlby8&e= Before posting, check wait time at: https://urldefense.proofpoint.com/v2/url?u=http-3A__www.ccl.net&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=6dsYXK55zWOkLVflQOEWu0S_msYDHjDcoooJgQe8aN0&m=3wyVtSKqiadLIZPGKJz2xEGx2PFVnQUPsHgCr7PJ0Gw&s=RpFItrnp6YNurbet2Rp_IcQFg4Uc_GnbuQiYRq0bJD0&e= Job: https://urldefense.proofpoint.com/v2/url?u=http-3A__www.ccl.net_jobs&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=6dsYXK55zWOkLVflQOEWu0S_msYDHjDcoooJgQe8aN0&m=3wyVtSKqiadLIZPGKJz2xEGx2PFVnQUPsHgCr7PJ0Gw&s=Fj-X6CtW211oy3kOA925jKxvglNfiuAskJvplpwcREM&e= Conferences: https://urldefense.proofpoint.com/v2/url?u=http-3A__server.ccl.net_chemistry_announcements_conferences_&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=6dsYXK55zWOkLVflQOEWu0S_msYDHjDcoooJgQe8aN0&m=3wyVtSKqiadLIZPGKJz2xEGx2PFVnQUPsHgCr7PJ0Gw&s=Mva6PPUrBQnfgVQxzqebYDjszzjGSFkDGhS09zZ5ElE&e= Search Messages: https://urldefense.proofpoint.com/v2/url?u=http-3A__www.ccl.net_chemistry_searchccl_index.shtml&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=6dsYXK55zWOkLVflQOEWu0S_msYDHjDcoooJgQe8aN0&m=3wyVtSKqiadLIZPGKJz2xEGx2PFVnQUPsHgCr7PJ0Gw&s=X-ET8wa_6qGteNzDVtHImAqen6fKeTrGTpP6UfPIoMQ&e=https://urldefense.proofpoint.com/v2/url?u=http-3A__www.ccl.net_spammers.txt&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=6dsYXK55zWOkLVflQOEWu0S_msYDHjDcoooJgQe8aN0&m=3wyVtSKqiadLIZPGKJz2xEGx2PFVnQUPsHgCr7PJ0Gw&s=ulrHEPeLx0QhqFEzbqYq4XtMB_WZA_q7bTurljEdqLA&e= RTFI: https://urldefense.proofpoint.com/v2/url?u=http-3A__www.ccl.net_chemistry_aboutccl_instructions_&d=AwICAg&c=4R1YgkJNMyVWjMjneTwN5tJRn8m8VqTSNCjYLg1wNX4&r=6dsYXK55zWOkLVflQOEWu0S_msYDHjDcoooJgQe8aN0&m=3wyVtSKqiadLIZPGKJz2xEGx2PFVnQUPsHgCr7PJ0Gw&s=VRNnDOt3HjZVyNZ6pXhBfjp3ZXSTULrfa9km-5zGwTI&e= From owner-chemistry@ccl.net Wed Jan 21 18:54:00 2015 From: "Daniel Roe daniel.r.roe##gmail.com" To: CCL Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Message-Id: <-50944-150121152300-14520-UK+IxeeK4I6oLJ1mTW0pgA]=[server.ccl.net> X-Original-From: Daniel Roe Content-Type: text/plain; charset=UTF-8 Date: Wed, 21 Jan 2015 13:22:53 -0700 MIME-Version: 1.0 Sent to CCL by: Daniel Roe [daniel.r.roe(!)gmail.com] Mr. Kress, I would like to bring to your attention two quotes written by you from an e-mail you sent February 16, 2014 (in response to another e-mail with the subject 'CCL: ICQC shame'): > If people want to discuss "gender inequality" they should start a forum on LinkedIn or Facebook or any of the many Social Media sites... > If you INSIST on discussing this on CCL, the please place an identifying header on all your emails so that those of us who care about SCIENCE... Kindly follow your own advice if you intended to send such unkind and non-science-related e-mails to the list. Thank you, -Dan On Wed, Jan 21, 2015 at 9:42 AM, Jim Kress jimkress35{=}gmail.com wrote: > > Sent to CCL by: "Jim Kress" [jimkress35,+,gmail.com] > Did you make sure the feminist quota has been met or exceeded? You wouldn't > want the Feminist harpies and their male sycophants descending upon you > again, with threats and boycotts. > > Jim Kress > > -----Original Message----- >> From: owner-chemistry+jimkress35==gmail.com::ccl.net > [mailto:owner-chemistry+jimkress35==gmail.com::ccl.net] On Behalf Of Vincent > lee to_wenqiangli|a|163.com > Sent: Tuesday, January 20, 2015 11:29 AM > To: Kress, Jim > Subject: CCL: Welcome to the 15th International Congress of Quantum > Chemistry ! > > > Sent to CCL by: "Vincent lee" [to_wenqiangli_-_163.com] Dear Colleagues, > The 15th International Congress of Quantum Chemistry (ICQC) will take place > in Beijing, June 8-13, 2015. The registration will be opened by Oct 1, 2014. > > Please browse http://www.icqc2015.org/. The following eminent theoretical > chemists have accepted the invitation for lectures: > > Millard Alexander (U Maryland), Yuriko Aoki (Kyushu U), Paul Ayers (McMaster > U), Joel Bowman (Emory U), Ria Broer-Braam (Groningen U), Filipp Furche (UC > Irvine), Jiali Gao (U Minnesota), Yiqin Gao (Peking U), Stefan Grimme (U > Bonn), Sharon Hammes-Schiffer (UIUC), Martin Head-Gordon (UC Berkeley), > Dudley Herschbach (Harvard, Nobel Laureate), Roald Hoffmann (Cornell U, > Nobel Laureate), Kendall Houk (UCLA), Denis Jacquemin (U Nantes), Poul > Jrgensen (U Aarhus), Kwang S. Kim (Ulsan), Wanzhen Liang (Xiamen U), Carmay > Lim (Acad Sinica), Yi Luo (KTH), Rudolf Marcus (Caltech, Nobel Laureate), > Benedetta Mennucci (U Pisa), Josef Michl (U Colorado), Keiji Morokuma (U > Kyoto), Hiroshi Nakatsuji (QCRI), Jozef Noga (Comenius U), Oleg Prezhdo (U > So Calif), Leo Radom (U Sydney), Lucia Reining(Ecole Polytech), Andreas > Savin (UPMC), George Schatz (Northwester U), H. Bernhard Schlegel (Wayne > State U), Tamar Seideman (Northwestern U), Juha Vaara (U Oulu), Xin Xu > (Fudan U), Yijing Yan (Hong Kong UST), Xueming Yang (DICP), Donghui Zhang > (DICP) > > The registration fee is 350 EUROs (regular) and 175 EUROs (student), which > covers (i) conference and reception, coffee breaks, all the lunches; (ii) > tour to the Great Wall; (iii) refreshments in the four poster sessions. > > The conference venue will be in the Tsinghua University Campus (ranked by > Forbes as one of the 14 most beautiful University Campuses in the world, > only one from Asia), easy connected by subways and other public transport. > Many hotels, restaurants, supermarkets, cafes are within the distance of > 20-minute walk. You may also easily rent a bicycle for one week or even one > month for less than 10 EUROs. Beijing is a fantastic place to see. And this > is the very first ICQC in China. > > Please check the air quality of Beijing in http://aqicn.org/city/beijing/ : > > Beijing is not much worse than other megacities like Tokyo or New York on > average. The air quality in the first half of June will be satisfactory and > it is sure that you will enjoy the sunshine and the cosy temperature. > > There will be eight satellite meetings featuring on specialized directions > of theoretical and computational chemistry. Please consult the website. > > Please mark your calendar. We look forward to welcoming you in China! > > Sincerely, > > Zhigang Shuai, Weihai Fang, Wenjian Liu, Weitao Yang Organizing Committee of > the 15th ICQC http://www.icqc2015.org/http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt> > From owner-chemistry@ccl.net Wed Jan 21 19:29:00 2015 From: "Robert Molt r.molt.chemical.physics__gmail.com" To: CCL Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Message-Id: <-50945-150121154927-324-CXsmfGHwDXDZlOVBfyXXXg*server.ccl.net> X-Original-From: Robert Molt Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=windows-1252; format=flowed Date: Wed, 21 Jan 2015 15:41:39 -0500 MIME-Version: 1.0 Sent to CCL by: Robert Molt [r.molt.chemical.physics^_^gmail.com] There is nothing professional about using terms like "Feminist harpies" or "male sycophants." Whatever your due opinions are on various political issues, in no circle is that polite language to characterize those with whom you disagree. We must all disagree with one another in finding the truth, and we must all do so politely. Dr. Robert Molt On 1/21/15 11:42 AM, Jim Kress jimkress35{=}gmail.com wrote: > Sent to CCL by: "Jim Kress" [jimkress35,+,gmail.com] > Did you make sure the feminist quota has been met or exceeded? You wouldn't > want the Feminist harpies and their male sycophants descending upon you > again, with threats and boycotts. > > Jim Kress > > -----Original Message----- >> From: owner-chemistry+jimkress35==gmail.com::ccl.net > [mailto:owner-chemistry+jimkress35==gmail.com::ccl.net] On Behalf Of Vincent > lee to_wenqiangli|a|163.com > Sent: Tuesday, January 20, 2015 11:29 AM > To: Kress, Jim > Subject: CCL: Welcome to the 15th International Congress of Quantum > Chemistry ! > > > Sent to CCL by: "Vincent lee" [to_wenqiangli_-_163.com] Dear Colleagues, > The 15th International Congress of Quantum Chemistry (ICQC) will take place > in Beijing, June 8-13, 2015. The registration will be opened by Oct 1, 2014. > > Please browse http://www.icqc2015.org/. The following eminent theoretical > chemists have accepted the invitation for lectures: > > Millard Alexander (U Maryland), Yuriko Aoki (Kyushu U), Paul Ayers (McMaster > U), Joel Bowman (Emory U), Ria Broer-Braam (Groningen U), Filipp Furche (UC > Irvine), Jiali Gao (U Minnesota), Yiqin Gao (Peking U), Stefan Grimme (U > Bonn), Sharon Hammes-Schiffer (UIUC), Martin Head-Gordon (UC Berkeley), > Dudley Herschbach (Harvard, Nobel Laureate), Roald Hoffmann (Cornell U, > Nobel Laureate), Kendall Houk (UCLA), Denis Jacquemin (U Nantes), Poul > Jrgensen (U Aarhus), Kwang S. Kim (Ulsan), Wanzhen Liang (Xiamen U), Carmay > Lim (Acad Sinica), Yi Luo (KTH), Rudolf Marcus (Caltech, Nobel Laureate), > Benedetta Mennucci (U Pisa), Josef Michl (U Colorado), Keiji Morokuma (U > Kyoto), Hiroshi Nakatsuji (QCRI), Jozef Noga (Comenius U), Oleg Prezhdo (U > So Calif), Leo Radom (U Sydney), Lucia Reining(Ecole Polytech), Andreas > Savin (UPMC), George Schatz (Northwester U), H. Bernhard Schlegel (Wayne > State U), Tamar Seideman (Northwestern U), Juha Vaara (U Oulu), Xin Xu > (Fudan U), Yijing Yan (Hong Kong UST), Xueming Yang (DICP), Donghui Zhang > (DICP) > > The registration fee is 350 EUROs (regular) and 175 EUROs (student), which > covers (i) conference and reception, coffee breaks, all the lunches; (ii) > tour to the Great Wall; (iii) refreshments in the four poster sessions. > > The conference venue will be in the Tsinghua University Campus (ranked by > Forbes as one of the 14 most beautiful University Campuses in the world, > only one from Asia), easy connected by subways and other public transport. > Many hotels, restaurants, supermarkets, cafes are within the distance of > 20-minute walk. You may also easily rent a bicycle for one week or even one > month for less than 10 EUROs. Beijing is a fantastic place to see. And this > is the very first ICQC in China. > > Please check the air quality of Beijing in http://aqicn.org/city/beijing/ : > > Beijing is not much worse than other megacities like Tokyo or New York on > average. The air quality in the first half of June will be satisfactory and > it is sure that you will enjoy the sunshine and the cosy temperature. > > There will be eight satellite meetings featuring on specialized directions > of theoretical and computational chemistry. Please consult the website. > > Please mark your calendar. We look forward to welcoming you in China! > > Sincerely, > > Zhigang Shuai, Weihai Fang, Wenjian Liu, Weitao Yang Organizing Committee of > the 15th ICQC http://www.icqc2015.org/http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt> > -- Dr. Robert Molt Jr. r.molt.chemical.physics-$-gmail.com Nigel Richards Research Group Department of Chemistry & Chemical Biology Indiana University-Purdue University Indianapolis LD 326 402 N. Blackford St. Indianapolis, IN 46202 From owner-chemistry@ccl.net Wed Jan 21 20:03:00 2015 From: "Jason Rigby jason.rigby.:.monash.edu" To: CCL Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Message-Id: <-50946-150121192120-6936-rrEaF90sNQl/QqND2fmxUg-$-server.ccl.net> X-Original-From: Jason Rigby Content-Type: multipart/alternative; boundary=001a11c1efb825fc66050d32a6ff Date: Thu, 22 Jan 2015 11:20:50 +1100 MIME-Version: 1.0 Sent to CCL by: Jason Rigby [jason.rigby^-^monash.edu] --001a11c1efb825fc66050d32a6ff Content-Type: text/plain; charset=UTF-8 Agreed; absolutely uncalled for. On 22 January 2015 at 05:36, Mezei, Mihaly mihaly.mezei^_^mssm.edu < owner-chemistry[a]ccl.net> wrote: > > Sent to CCL by: "Mezei, Mihaly" [mihaly.mezei,mssm.edu] > > > Did you make sure the feminist quota has been met or exceeded? You > wouldn't > want the Feminist harpies and their male sycophants descending upon you > again, with threats and boycotts. > > Jim Kress > -------------- > Jim, > > that was totally uncalled for. > > Mihaly Mezei > > Department of Structural and Chemical Biology, Icahn School of Medicine at > Mount Sinai > Voice: (212) 659-5475 Fax: (212) 849-2456 > WWW (MSSM home): > http://www.mountsinai.org/Find%20A%20Faculty/profile.do?id=0000072500001497192632 > WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei > WWW (Department): > http://www.mssm.edu/departments-and-institutes/structural-and-chemical-biology> > > --001a11c1efb825fc66050d32a6ff Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Agreed; absolutely uncalled for.

On 22 January 2015 at 05:36, Mezei, M= ihaly mihaly.mezei^_^mssm.edu <owner= -chemistry[a]ccl.net> wrote:
=
Sent to CCL by: "Mezei, Mihaly" [mihaly.mezei,mssm.edu]

> Did you make sure the feminist quota has been met or exceeded?=C2=A0 Y= ou wouldn't
want the Feminist harpies and their male sycophants descending upon you
again, with threats and boycotts.

Jim Kress
--------------
Jim,

that was totally uncalled for.

Mihaly Mezei

Department of Structural and Chemical Biology, Icahn School of Medicine at = Mount Sinai
Voice:=C2=A0 (212) 659-5475=C2=A0 =C2=A0Fax: (212) 849-2456
WWW (MSSM home): http://www.mountsin= ai.org/Find%20A%20Faculty/profile.do?id=3D0000072500001497192632
WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei
WWW (Department): http://www.mssm.edu/dep= artments-and-institutes/structural-and-chemical-biology



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--001a11c1efb825fc66050d32a6ff-- From owner-chemistry@ccl.net Wed Jan 21 20:39:00 2015 From: "Guenter Grethe ggrethe%x%att.net" To: CCL Subject: CCL: 2015 CINF-RSC Scholarships Message-Id: <-50947-150121195200-29012-uGGOcWA0vuIQE2CVqfMRag=-=server.ccl.net> X-Original-From: "Guenter Grethe" Date: Wed, 21 Jan 2015 19:51:59 -0500 Sent to CCL by: "Guenter Grethe" [ggrethe%%att.net] 2015 CINF Scholarship for Scientific Excellence Sponsored by the Royal Society of Chemistry The scholarship program of the Division of Chemical Information (CINF) of the American Chemical Society (ACS) funded by the Royal Society of Chemistry (RSC) is designed to reward students in chemical information and related sciences for scientific excellence and to foster their involvement in CINF. Up to three scholarships valued at $1,000 each will be presented at the 250th ACS National Meeting in Boston, MA, August 16 August 20, 2015. Student applicants must be enrolled at a certified college or university; postdoctoral fellows are also invited to apply. They will present a poster during the Welcoming Reception of the Division on Sunday evening at the National Meeting. Additionally, they will have the option to also show their poster at the Sci-Mix session on Monday night. Abstracts for the poster must be submitted electronically through MAPS, the abstract submission system of ACS. To apply, please inform the Chair of the selection committee, Guenter Grethe at ggrethe]-[att.net, that you are applying for a scholarship. Submit your abstract to http://maps.acs.org using your ACS ID. If you do not have an ACS ID, follow the registration instructions and submit your abstract in the CINF program for the session CINF Scholarships for Scientific Excellence: Student Poster Competition. MAPS is now open for abstract submission and will close on March 13, 2015. Additionally, please send a 2,000-word abstract describing the work to be presented in electronic form to the Chair of the selection committee by June 20, 2015. Any questions related to applying for one of the scholarships should be directed to the same e-mail address. Winners will be chosen based on contents, presentation and relevance of the poster and they will be announced during the reception. The contents shall reflect upon the students work and describe research in the field of cheminformatics and related sciences. Guenter Grethe From owner-chemistry@ccl.net Wed Jan 21 22:48:00 2015 From: "Jim Kress jimkress35%a%gmail.com" To: CCL Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Message-Id: <-50948-150121213411-13740-1UidyRA/sBPQoQmJHSzGeA+*+server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="UTF-8" Date: Wed, 21 Jan 2015 21:33:43 -0500 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [jimkress35+/-gmail.com] If the harpies and sycophants had heeded my request, then I would follow it. Unfortunately, they did not and went about vigorously trying to destroy my personal and scientific reputation. That was, and is, reprehensible. The world must be periodically reminded that those type of people still exist - especially through the medium of sarcasm. Jim -----Original Message----- > From: owner-chemistry+jimkress35==gmail.com- -ccl.net [mailto:owner-chemistry+jimkress35==gmail.com- -ccl.net] On Behalf Of Daniel Roe daniel.r.roe##gmail.com Sent: Wednesday, January 21, 2015 3:23 PM To: Kress, Jim Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry ! Sent to CCL by: Daniel Roe [daniel.r.roe(!)gmail.com] Mr. Kress, I would like to bring to your attention two quotes written by you from an e-mail you sent February 16, 2014 (in response to another e-mail with the subject 'CCL: ICQC shame'): > If people want to discuss "gender inequality" they should start a forum on LinkedIn or Facebook or any of the many Social Media sites... > If you INSIST on discussing this on CCL, the please place an identifying header on all your emails so that those of us who care about SCIENCE... Kindly follow your own advice if you intended to send such unkind and non-science-related e-mails to the list. Thank you, -Dan On Wed, Jan 21, 2015 at 9:42 AM, Jim Kress jimkress35{=}gmail.com wrote: > > Sent to CCL by: "Jim Kress" [jimkress35,+,gmail.com] Did you make sure > the feminist quota has been met or exceeded? You wouldn't want the > Feminist harpies and their male sycophants descending upon you again, > with threats and boycotts. > > Jim Kress > > -----Original Message----- >> From: owner-chemistry+jimkress35==gmail.com::ccl.net > [mailto:owner-chemistry+jimkress35==gmail.com::ccl.net] On Behalf Of > Vincent lee to_wenqiangli|a|163.com > Sent: Tuesday, January 20, 2015 11:29 AM > To: Kress, Jim > Subject: CCL: Welcome to the 15th International Congress of Quantum > Chemistry ! > > > Sent to CCL by: "Vincent lee" [to_wenqiangli_-_163.com] Dear > Colleagues, The 15th International Congress of Quantum Chemistry > (ICQC) will take place in Beijing, June 8-13, 2015. The registration will be opened by Oct 1, 2014. > > Please browse http://www.icqc2015.org/. The following eminent > theoretical chemists have accepted the invitation for lectures: > > Millard Alexander (U Maryland), Yuriko Aoki (Kyushu U), Paul Ayers > (McMaster U), Joel Bowman (Emory U), Ria Broer-Braam (Groningen U), > Filipp Furche (UC Irvine), Jiali Gao (U Minnesota), Yiqin Gao (Peking > U), Stefan Grimme (U Bonn), Sharon Hammes-Schiffer (UIUC), Martin > Head-Gordon (UC Berkeley), Dudley Herschbach (Harvard, Nobel > Laureate), Roald Hoffmann (Cornell U, Nobel Laureate), Kendall Houk > (UCLA), Denis Jacquemin (U Nantes), Poul Jrgensen (U Aarhus), Kwang S. > Kim (Ulsan), Wanzhen Liang (Xiamen U), Carmay Lim (Acad Sinica), Yi > Luo (KTH), Rudolf Marcus (Caltech, Nobel Laureate), Benedetta Mennucci > (U Pisa), Josef Michl (U Colorado), Keiji Morokuma (U Kyoto), Hiroshi > Nakatsuji (QCRI), Jozef Noga (Comenius U), Oleg Prezhdo (U So Calif), > Leo Radom (U Sydney), Lucia Reining(Ecole Polytech), Andreas Savin > (UPMC), George Schatz (Northwester U), H. Bernhard Schlegel (Wayne > State U), Tamar Seideman (Northwestern U), Juha Vaara (U Oulu), Xin Xu > (Fudan U), Yijing Yan (Hong Kong UST), Xueming Yang (DICP), Donghui > Zhang > (DICP) > > The registration fee is 350 EUROs (regular) and 175 EUROs (student), > which covers (i) conference and reception, coffee breaks, all the > lunches; (ii) tour to the Great Wall; (iii) refreshments in the four poster sessions. > > The conference venue will be in the Tsinghua University Campus (ranked > by Forbes as one of the 14 most beautiful University Campuses in the > world, only one from Asia), easy connected by subways and other public transport. > Many hotels, restaurants, supermarkets, cafes are within the distance > of 20-minute walk. You may also easily rent a bicycle for one week or > even one month for less than 10 EUROs. Beijing is a fantastic place to > see. And this is the very first ICQC in China. > > Please check the air quality of Beijing in http://aqicn.org/city/beijing/ : > > Beijing is not much worse than other megacities like Tokyo or New York > on average. The air quality in the first half of June will be > satisfactory and it is sure that you will enjoy the sunshine and the cosy temperature. > > There will be eight satellite meetings featuring on specialized > directions of theoretical and computational chemistry. Please consult the website. > > Please mark your calendar. We look forward to welcoming you in China! > > Sincerely, > > Zhigang Shuai, Weihai Fang, Wenjian Liu, Weitao Yang Organizing > Committee of the 15th ICQC > http://www.icqc2015.org/http://www.ccl.net/cgi-bin/ccl/send_ccl_messag > ehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spamme > rs.txthttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt