Fragment molecular orbital - PDFSEARCH.IO - Document Search Engine

Fragment molecular orbital
Results: 13

#	Item
1	Lakshminarasimhan Seshagiri, Meng‐Shiou Wu, Masha Sosonkina  Ames Laboratory , Ames, IA 50011  Zhao Zhang  Iowa State University, Ames, IA 50011  * This work was supporte Add to Reading List Source URL: iwapt.org Language: English - Date: 2009-10-15 20:01:42 Computational chemistry GAMESS Theoretical chemistry MOLPRO NWChem Firefly Fragment molecular orbital
2	AN INTRODUCTION TO GAMESS See: www.msg.chem.iastate.edu GAMESS Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2015-03-03 15:53:44 Chemistry Computational chemistry GAMESS Post-HartreeFock methods Fragment molecular orbital Theoretical chemistry Quantum chemistry Ab initio quantum chemistry methods Coupled cluster PQS MOLCAS
3	Theory Papers Kitaura, K.; Sawai, T.; Asada, T.; Nakano, T.; Uebayasi, M. Chem. Phys. Lett. 1999, 312, 319. Kitaura, K.; Ikeo, E.; Asada, T.; Nakano, T.; Uebayasi, M. Chem. Phys. Lett. 1999, 313, 701. Nakano, T.; Kaminum Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:31:43 Chemistry Computational chemistry Fragment molecular orbital Molecular biology Theoretical chemistry Crystal
4	Topics • General overview of the Fragment Molecular Orbital (FMO) method • Examples of the types of calculations you can do with FMO • Parallelization with GDDI Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:31:41
5	Input DescriptionDecember 2014) ********************************* * Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2015-01-22 16:25:52 Quantum chemistry Atomic physics Computational physics Fragment molecular orbital GAMESS Coupled cluster Multi-configurational self-consistent field Electronic correlation Møller–Plesset perturbation theory Chemistry Computational chemistry Theoretical chemistry
6	ohio2/yjp-yjp/yjp-yjp/yjp99907/yjp5958d07z xppws 23:ver[removed]:10 Msc: jp-2008-04512f TEID: kbg00 BATID: jp10c111 J. Phys. Chem. B XXXX, xxx, [removed] Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:06 Molecular modelling Austin Model 1 Molecular dynamics Force field Fragment molecular orbital QM/MM Hartree–Fock method Mulliken population analysis NDDO Chemistry Computational chemistry Quantum chemistry
7	Philip Carlson Assistant Professor of Chemistry and Physics Ph.,D., Physical Chemistry, Iowa State University M.A., Biblical Studies, Louisiana Baptist University B.S., Mathematics Wayland Baptist University B.S., Chemis Add to Reading List Source URL: belhaven.edu Language: English - Date: 2014-11-22 08:02:19 Belhaven University Carlson Fragment molecular orbital Journal of Physical Chemistry A Biology Biochemistry Chemistry Curcuminoids Curcumin
8	Microsoft Word - 18_COMP_S.doc Add to Reading List Source URL: oldwww.acscomp.org Language: English - Date: 2011-07-01 06:30:54 Molecular modelling Theoretical chemistry Molecular biology Intermolecular forces Molecular dynamics Fragment molecular orbital Force field Crystal Monte Carlo method Chemistry Science Computational chemistry
9	Microsoft Word - ReleaseHistory.doc Add to Reading List Source URL: zzzfelis.sakura.ne.jp Language: English - Date: 2013-05-03 00:10:00 Science Fragment molecular orbital Molecular model GAMESS Computational chemistry
10	Microsoft Word - ReleaseHistory.doc Add to Reading List Source URL: zzzfelis.sakura.ne.jp Language: English - Date: 2013-05-03 00:12:00 Chemical file format Computational chemistry GAMESS BALL STING Fragment molecular orbital Science Application software Chemistry