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1	CHEM 548 Molecular Electronic Structure Spring 2015 Room: Period: Noyes Laboratory 164 Add to Reading List Source URL: www.scs.illinois.edu Language: English - Date: 2015-01-19 11:13:15 Quantum chemistry Theoretical chemistry Computational chemistry HartreeFock method Crystal Molecular orbital theory Gaussian Density functional theory Many-body problem Size consistency and size extensivity Ab initio quantum chemistry methods MOLCAS
2	ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT DEPARTMENT OF CHEMISTRY AND AMES LABORATORY, IOWA STATE UNIVERSITY, AMES, IA 50011 Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:28:35 Quantum chemistry Computational chemistry Theoretical chemistry Multi-configurational self-consistent field Electronic correlation GAMESS Complete active space Coupled cluster MOLCAS Configuration interaction Ab initio quantum chemistry methods NWChem
3	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
4	Published on WebAre 1,5-Disubstituted Semibullvalenes that Have C2v Equilibrium Geometries Necessarily Bishomoaromatic? Eric C. Brown,* Daven K. Henze, and Weston Thatcher Borden Contribution from the Depart Add to Reading List Source URL: adjoint.colorado.edu Language: English - Date: 2004-10-13 15:35:33 Computational chemistry Theoretical chemistry Molecular physics Multi-configurational self-consistent field MOLCAS Molecular orbital Electronic correlation Hybrid functional Bond-dissociation energy Chemistry Quantum chemistry Chemical bonding
5	The ThUL School in Actinide Chemistry June, 2th to 6th 2014 Time Mon ( 2nd, KIT-FTU) Add to Reading List Source URL: radon.chem.helsinki.fi Language: English - Date: 2014-02-03 10:44:20 Break Working time MOLCAS
6	Microsoft Word - F-BRIDGE - D142 - revision 0 - Ab initio modelling of molecular actinide compounds - validated.doc Add to Reading List Source URL: www.f-bridge.eu Language: English - Date: 2013-04-23 06:25:16 Atomic physics Molecular physics Theoretical chemistry Computational chemistry Ionization energy MOLCAS Actinide Multi-configurational self-consistent field Molecular orbital Chemistry Physics Quantum chemistry
7	Professor Vincenzo Barone Laboratorio Virtuale IDEA - Scuola Normale Superiore di Pisa The following list of selected publications includes all scientific contributions since 1995 that have received more than 100 citatio Add to Reading List Source URL: hubmiur.pubblica.istruzione.it Language: English - Date: 2014-09-11 08:01:59 Computational chemistry Polarizable continuum model Chemical physics Density functional theory Quantum chemistry Chemical bond MOLCAS Force field Chemistry Science Theoretical chemistry
8	Ab initio quantum chemistry: Methodology and applications Richard A. Friesner* Add to Reading List Source URL: www.ncbi.nlm.nih.gov Language: English Computational chemistry Quantum chemistry Ab initio quantum chemistry methods Density functional theory MOLCAS Hartree–Fock method ACES Gaussian Crystal Chemistry Science Theoretical chemistry