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Ab initio quantum chemistry methods
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31	JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBEROCTOBER 2004 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:06 Computational chemistry Quantum chemistry Atomic physics Density functional theory Hybrid functional Hartree–Fock method Basis set Ab initio quantum chemistry methods Electronic correlation Chemistry Physics Theoretical chemistry
32	PhD Project in Chemistry Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK Project Title: Applications of Spin-Coupled Valence Bond Theory to Chemical Structure and Reactivity Supervisor Name: D Add to Reading List Source URL: www.york.ac.uk Language: English - Date: 2015-03-03 06:02:59 Chemical bonding Quantum chemistry Modern valence bond theory Valence bond theory Chemical bond Ab initio quantum chemistry methods Reactivity GAMESS ACES Chemistry Computational chemistry Theoretical chemistry
33	Chemical Physics–77 Contents lists available at ScienceDirect Chemical Physics journal homepage: www.elsevier.com/locate/chemphys Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 05:48:56 Theoretical chemistry Quantum chemistry Time-dependent density functional theory Density functional theory Molecular Hamiltonian Electronic band structure Basis set Ab initio quantum chemistry methods Molecular dynamics Chemistry Physics Computational chemistry
34	“Anomalous Long Lifetime of Carbon-14”   Solve the puzzle of the long but useful lifetime of 14C   Determine the microscopic origin of the suppressed β-decay rate Add to Reading List Source URL: www.unedf.org Language: English - Date: 2011-05-20 23:28:47 Neutron Nucleon Ab initio quantum chemistry methods Radioactive decay Third normal form Jaguar Computing Matter Chemistry Baryons Hadrons
35	SHELX_WSP_MONTREAL14_USON.ppt Add to Reading List Source URL: shelx.uni-ac.gwdg.de Language: English - Date: 2014-09-04 09:43:42 Giuseppe Arcimboldo Cyclodextrin Molecular replacement Ab initio quantum chemistry methods Chemistry Crystallography Supramolecular chemistry
36	INPUT DESCRIPTION FOR SQM version 2.0 INTRODUCTION SQM is an add-on module for the PQS program which scales force constants to produce a Scaled Quantum Mechanical (SQM) Force Field. This can correct for deficiencies in t Add to Reading List Source URL: www.pqs-chem.com Language: English - Date: 2011-03-28 16:05:54 Spectroscopy Molecular modelling Theoretical chemistry Molecular vibration Z-matrix Molecule Scaling Molecular geometry Ab initio quantum chemistry methods Chemistry Science Computational chemistry
37	Ab initio modeling of optoelectronic properties of semiconductors for photovoltaics J. Vidal1,2,4, L.M. Huang1, C. Domain1, P. Olsson1, J.F. Guillemoles1, M. Gatti2,4, S. Botti2,3,4 and L. Reining2,4 1 Add to Reading List Source URL: www.quantsol.org Language: English* - Date: 2010-05-11 12:45:48 Electronic band structure Density functional theory Semiconductor Ab initio quantum chemistry methods Band gap ACES Quantum chemistry Chemistry Theoretical chemistry Computational chemistry
38	Theory – W. ThielResearch Area “Ab Initio Methods” (W. Thiel) Add to Reading List Source URL: www.kofo.mpg.de Language: English - Date: 2014-11-10 05:45:58 Coupled cluster Semi-empirical quantum chemistry method Multireference configuration interaction ACES Configuration interaction Crystal Density functional theory Hybrid functional MNDO Chemistry Computational chemistry Ab initio quantum chemistry methods
39	Submitted to Journal of Chemical Theory and Computation rR Fo An Effective Hamiltonian Molecular Orbital©¤Valence Bond (MOVB) Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:07 Chemical bonding Theoretical chemistry Molecular physics Ab initio quantum chemistry methods Valence bond theory Localized molecular orbitals Chemical bond Resonance Multi-configurational self-consistent field Chemistry Quantum chemistry Computational chemistry
40	JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBER[removed]OCTOBER 2004 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:06 Computational chemistry Quantum chemistry Atomic physics Density functional theory Hybrid functional Hartree–Fock method Basis set Ab initio quantum chemistry methods Electronic correlation Chemistry Physics Theoretical chemistry

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