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Ab Initio
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131	THE JOURNAL OF CHEMICAL PHYSICS 126, 194502 共2007兲 Ab initio melting curve of molybdenum by the phase coexistence method C. Cazorla and M. J. Gillan London Centre for Nanotechnology, UCL, London WC1H OAH, United Kin Add to Reading List Source URL: www.claudiocazorla.com Language: English - Date: 2010-02-11 05:02:36 Phase transitions Computational chemistry Temperature Condensed matter physics Density functional theory Melting point Electronic band structure Crystal Molecular dynamics Chemistry Physics Science
132	Journal of Nuclear Materials–179 www.elsevier.com/locate/jnucmat Crystal structures of curium compounds: an ab initio study V. Milman Add to Reading List Source URL: www.tcm.phy.cam.ac.uk Language: English - Date: 2003-09-29 06:22:18 Chemical elements Actinides Synthetic elements Crystallography Mineralogy Curium Americium Tantalum carbide Crystal structure Chemistry Matter Physics
133	Pure &App/. Chern., Vol. 70, No. 4, pp, 1998. Printed in Great BritainIUPAC INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY Add to Reading List Source URL: old.iupac.org Language: English - Date: 2004-06-03 12:09:55 Quantum chemistry Ab initio quantum chemistry methods International Union of Pure and Applied Chemistry Hartree–Fock method Force field Post-Hartree–Fock Basis set MPEG-1 Audio Layer II Quantum chemistry composite methods Chemistry Computational chemistry Theoretical chemistry
134	Joint 21st AIRAPT and 45th EHPRG Int. Conf. on High Pressure Science and Technology IOP Publishing Journal of Physics: Conference Seriesdoi:Ab-initio melting curve and p Add to Reading List Source URL: www.claudiocazorla.com Language: English - Date: 2010-02-11 04:58:01 Equation of state Melting point Thermodynamics Chemistry Physics Phase transitions Rankine–Hugoniot conditions
135	Microsoft PowerPoint - 2011_02_14_FOS_Rodney_Bartlett.pptx Add to Reading List Source URL: computerlectures.pnnl.gov Language: English - Date: 2011-01-27 15:18:04 Physics Quantum mechanics Computational chemistry ACES University of Florida Rodney J. Bartlett Ab initio quantum chemistry methods Quantum chemistry Schrödinger equation Chemistry Theoretical chemistry Science
136	PDF Document Add to Reading List Source URL: www.tcm.phy.cam.ac.uk Language: English - Date: 2015-05-23 17:30:42 Theoretical chemistry Computational chemistry Atomic physics Molecular physics Quantum Monte Carlo Hartree–Fock method Crystal Variational Monte Carlo Ab initio quantum chemistry methods Chemistry Physics Quantum chemistry
137	PDF Document Add to Reading List Source URL: tulane.edu Language: English - Date: 2011-05-31 10:47:49 Computational physics Computational chemistry Theoretical chemistry Density functional theory Ab initio quantum chemistry methods Pseudopotential Physical Review John Perdew Chemistry Physics Science
138	PDF Document Add to Reading List Source URL: www.kofo.mpg.de Language: English - Date: 2014-11-10 05:44:33 Theoretical chemistry Ab initio quantum chemistry methods Molecular physics MNDO Semi-empirical quantum chemistry method Density functional theory Molecular dynamics Force field NDDO Chemistry Computational chemistry Molecular modelling
139	PUBLICATIONSB. Birknes and K. Fægri, jr. "Empirical Correlation of CNDO/2 and Extended Huckel Ionization Energies for the Azines." Acta. Chem. Scand. A29, , 1975. Add to Reading List Source URL: www.uio.no Language: English Hartree–Fock method Knut Fægri Ab initio quantum chemistry methods Dirac Møller–Plesset perturbation theory Chemistry Theoretical chemistry Computational chemistry
140	Microsoft Word - F-BRIDGE - D221 - revision 0 - Assessment of atomistic modeling methods - v8 validated.doc Add to Reading List Source URL: www.f-bridge.eu Language: English - Date: 2013-04-23 06:24:59 Quantum chemistry Computational chemistry Density functional theory Atomic physics Hybrid functional Ab initio quantum chemistry methods Molecular dynamics Local-density approximation Jellium Chemistry Physics Theoretical chemistry