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Computational and Theoretical Chemistry
Results: 190

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121	Gaussian 09 Revision C.01 Release Notes 28 September 2011 Contents Features and Usage Notes: Rev C.01....................................................................................................................... Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:47 Theoretical chemistry Computational physics Molecular modelling Gaussian Hartree–Fock method ONIOM Density functional theory Molecular mechanics Time-dependent density functional theory Chemistry Computational chemistry Quantum chemistry
122	Gaussian 09 Revision B.01 Release Notes Contents Feature and Usage Notes: Rev B ............................................................................................................................................ Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:47 Computational chemistry Quantum chemistry Theoretical chemistry Density functional theory Computational physics Gaussian Hartree–Fock method ONIOM Hybrid functional Chemistry Physics Science
123	High Precision Hy-CI Variational Calculations for the Ground State of Neutral Helium and Heliumlike ions James S. Sims National Institute of Standards and Technology Gaithersburg, MD[removed] Add to Reading List Source URL: www.nist.gov Language: English - Date: 2010-11-24 14:48:53 Theoretical chemistry Quantum chemistry Configuration interaction Basis set Electron Variational method Wave function Chemistry Physics Computational chemistry
124	Nicholas Handy[removed]Nicholas Charles Handy was born in Swindon, Wiltshire on 17 June 1941 – at a critical time during World War II. His father was a corn merchant and his maternal grandparents were farmers. He att Add to Reading List Source URL: www.iaqms.org Language: English - Date: 2013-07-17 00:07:25 Theoretical chemistry Physical chemists Computational chemistry Quantum chemistry CADPAC Density functional theory Nicholas C. Handy John Pople Quantum mechanics Chemistry Science Fellows of the Royal Society
125	Studying quantum systems using a quantum computer Ph/CS 219, 23 February 2009 Estimating energy eigenvalues and preparing energy eigenstates Ph/CS 219, 2 March 2009 We have argued that a quantum computer can eff Add to Reading List Source URL: www.theory.caltech.edu Language: English - Date: 2009-03-04 20:11:35 Theoretical chemistry Quantum chemistry Computational chemistry Atomic physics Schrödinger equation Electron Stationary state Quantum computer Hamiltonian Physics Chemistry Quantum mechanics
126	0399 Other Chemical Sciences[removed]Theoretical and Computational Chemistry[removed]Physical Chemistry (Incl. Add to Reading List Source URL: content.myuniversity.gov.au Language: English - Date: 2013-02-21 23:24:26 Pi Academia N University of New South Wales Excellence in Research for Australia
127	PHYSICAL REVIEW A 80, 052507 共2009兲 Hylleraas-configuration-interaction study of the 2 2S ground state of neutral lithium and the first five excited 2S states James S. Sims National Institute of Standards and Techno Add to Reading List Source URL: www.nist.gov Language: English - Date: 2010-11-16 13:41:31 Atomic physics Theoretical chemistry Chemical bonding Atomic orbital Electron configuration Configuration interaction Basis set Chemistry Quantum chemistry Computational chemistry
128	Copyright © 2013 American Scientiﬁc Publishers All rights reserved Printed in the United States of America Journal of Computational and Theoretical Nanoscience Add to Reading List Source URL: www.molecularassembler.com Language: English - Date: 2013-12-22 18:26:37 Mechanosynthesis Adamantane Chemical bonding Diamondoid Hydrogen bond Chemical reaction Hydrogen Chemistry Nanotechnology Chemical synthesis
129	PHYSICAL REVIEW A 83, [removed]Hylleraas-configuration-interaction study of the 1 S ground state of neutral beryllium James S. Sims National Institute of Standards and Technology, Gaithersburg, Maryland[removed], Add to Reading List Source URL: www.nist.gov Language: English - Date: 2011-03-31 17:20:24 Computational chemistry Atomic physics Theoretical chemistry Hartree–Fock method Atomic orbital Electron Multi-configurational self-consistent field Quantum number Configuration state function Chemistry Physics Quantum chemistry
130	[Highlights[removed]Theoretical and Computational Biophysics Group University of Illinois at Urbana-Champaign Beckman Institute for Advanced Science and Technology Add to Reading List Source URL: www.ks.uiuc.edu Language: English - Date: 2012-01-15 15:16:32 Computational chemistry Nanotechnology Molecular machines Integral membrane proteins Molecular dynamics Nanopore Membrane protein Cell membrane Lipid bilayer Biology Chemistry Membrane biology

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