Quantum Chemistry Literature Database is offered by Japan Association for International Chemical Information (JAICI) Nakai Bldg., 6-25-4 Honkomagome Bunkyo-ku, Tokyo 113, Japan Ph. (81)-3-5978-3622 FAX: (81)-3-5978-3600 In house use: $1,880 (all) $480 (academia) As of Feb. 25, 1994 it contains 23239 entries. Updated annualy in October --------- update -------- literatures now, and last year about 2000 literatures was updated. It collected ab initio calculation bibliography from 1978. The literature citations contained in QCLDB are restricted to those concerning ab initio computations of atomic and molecular electronic structures. A reference concerned only with the theory without reporting any computation results is included, however, if it is judged to have some relevance to molecular ab initio calculations. No semiempirical calculations are cited.(^_^;) The keywords are Author(s), Journal name , Volume, Page, Year, Compound formulas, Methods of calculation, BASIS SETS, Physical properties, Comments, and ID number. Output example was already shown just a year ago, >From: siroiss@cerca.umontreal.ca (Suzane Sirois) >Subject: CYSTEINE GEOM >Date: Sun, 4 Apr 1993 00:47:41 -0500 (EST) > >THEODJ=Theochem (J.Mol.Struct.) >U SCHAFER L,SIAM K,KLIMKOWSKI V J,EWBANK J D,VAN ALSENOY C > JO THEODJ > VO 63 > PA 361 > YE 90 > CO C3H7NO2S > ME RHF > BA GDZ,GEXT > PR GEOM > COM CYSTEINE , GEOMETRIES OF 10 CONFORMATIONS , 3-321G , POTEN > TIAL-ENERGY CURVES FOR THE N-C-C=O AND H-C-C-S TORSIONS , T > HE DEPENDANCE OF BOND ANGLES ON TORSIONAL ANGLES > ID 18381 It runs on IBM3090(VM/SP),Hitac M-series(VOS3),Hitac S-820(HAP Fortran), FACOM M-series(OSIV),VAX-11/780(VMS),CRAY2(UNICOS4.0),IRIS-4D(Irix System V), SUN Sparc(4.1), HP(HP-UX5.0),HP/APOLLO DN1000(DOMAIN/OS, FTN10.7), ALLIANT(CONVENTRIX/FX/FORTRAN 4.2), HItachi 2050G(HI-UX), IBM-RS6000. It needs about 20-40 Mbytes disk. The media for distribution is Magnet tape(non-label/ASCII 6250 or 1600) or Magnet tape (non-label/EBCDIC 6250 or 1600) or 1/4" Cartridge tape(150MB UNIX/tar(QIC120)). Because It is released every October, the licence fee is higher between October to March, and cheaper between April to September. October to March: Academic about 60000yen (almost $ 600) Industr. about 210000yen (almost $2000) April to Septem.: Academic about 50000yen (almost $ 500) Industr. about 160000yen (almost $1500) If you want more information, please contact to Ms.Kowata. Japan Association for International Chemical Information 6-25-4 Hon-Komagome, Bunkyo-ku, Tokyo 113 Japan tel: +81-3-5978-3622 fax: +81-3-5978-3600 telex: 272-3805 (JAICI J) ___/ ___/ ___/ Yoshihisa INOUE (^_^) / / / the Green Cross Corp. / _ / / / 2-25-1 Shodai-Ohtani,Hirakata,Osaka 573 JAPAN / / / / tel: +81-720-56-9328 _____/ ____/ ____/ fax: +81-720-57-5020 --------- another update ---------------- We, the QCDB (Quantum Chemistry DataBase) group, have been organizing QCLDB (Quantum Chemisry Literature Data Base). It has been developing by many quantum chemists, who voluntarily participated in this project as abstractors and reviewers, who are working not only in Japan but also in other countries. An introduction by Dr. Yoshihisa Inoue was perfect for the on-line version of QCLDB. We greatly appreciate his nice introduction. The retrieval system is much better, if you have any computer facilities in your site. We also have been publishing a supplement each year covering publications of the preceding year as a special issue of THEOCHEM. It is published every December. You can get a copy of it by Elsevier. JAICI(Japan Association for International Chemical Information) is responsible for the distribution of the on-line system of QCLDB. (Ms. Kowata, FAX:+81-3-5978-3600) The office of the QCDB group is located at Ochanomizu University.(Prof. Haruo Hosoya, FAX:+81-3-3942-2815) Keiko Takano, PhD. e-mail: keiko@si.fi.ameslab.gov Department of Chemisry Fax: +81-3-3942-2815 Ochanomizu University Voice: +81-3-3943-6326 Bunkyo-ku, Tokyo 112 JAPAN