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Theoretical chemistry
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681	1 THEORETICAL FUNDAMENTALS AND EXPERIMENTAL CONSIDERATIONS OF THE SPECTROSCOPIC METHODS USED IN SURFACE CHEMISTRY Three principal types of problems may be distinguished in the application of molecular spectroscopic techn Add to Reading List Source URL: media.wiley.com Language: English - Date: 2007-10-05 22:44:24 Science Absorption band Raman spectroscopy Infrared spectroscopy Emission spectrum Molecular vibration Nuclear magnetic resonance Energy level Infrared Chemistry Physics Spectroscopy
682	Chapter 1: What is Density Functional Theory Add to Reading List Source URL: media.wiley.com Language: English - Date: 2011-09-05 07:11:36 Quantum chemistry Atomic physics Chemical properties Molecular physics Density functional theory Electron Computational chemistry Chemical bond Energy level Chemistry Physics Theoretical chemistry
683	PDF Document Add to Reading List Source URL: media.wiley.com Language: English - Date: 2008-10-21 05:02:06 Computational chemistry Theoretical chemistry Molecular physics Chemical bond Molecular orbital Ionization energy Resonance Linear combination of atomic orbitals Hartree–Fock method Chemistry Quantum chemistry Chemical bonding
684	OTE/SPH OTE/SPH JWBK077-01 JWBK077-Aroca March 14, 2007 Add to Reading List Source URL: media.wiley.com Language: English - Date: 2007-10-05 13:04:28 Science Spectroscopy Molecular physics Theoretical chemistry Atomic physics Molecular Hamiltonian Born–Oppenheimer approximation Molecular vibration Energy level Chemistry Physics Quantum chemistry
685	EARLY PERSPECTIVES ON GEOMETRIC PHASE M. S. CHILD Physical and Theoretical Chemistry Laboratory Oxford, United Kingdom CONTENTS Add to Reading List Source URL: media.wiley.com Language: English - Date: 2007-10-05 23:42:40 Quantum chemistry Vibronic coupling Geometric phase Jahn–Teller effect Molecular Hamiltonian Adiabatic theorem Diabatic Conical intersection Degenerate energy levels Physics Chemistry Quantum mechanics
686	Z:aginationeyPlicationfiles.dvi Add to Reading List Source URL: media.wiley.com Language: English - Date: 2007-11-12 09:49:10 Solutions Physical chemistry Theoretical chemistry Implicit solvation Polarizable continuum model Solvation Solvent effects Force field Molecular dynamics Chemistry Computational chemistry Molecular modelling
687	European Cooperation Brussels, 15 May 2014 in the field of Scientific and Technical Research Add to Reading List Source URL: w3.cost.eu Language: English - Date: 2014-05-16 06:41:00 Astrochemistry Atmospheric chemistry Astronomy Chemist Theoretical chemistry Astrobiology Astrophysics Molecule Chemical physics Chemistry Science Nature
688	PDF Document Add to Reading List Source URL: media.wiley.com Language: English - Date: 2013-08-26 19:15:32 Computational chemistry Quantum chemistry Atomic physics Spectroscopy Density functional theory Time-dependent density functional theory Ab initio quantum chemistry methods Electronic correlation Excited state Chemistry Physics Theoretical chemistry
689	Mauro Prencipe Dip. Scienze Mineralogiche e Petrologiche - Univ. di Torino RAA 2011 Parma, 5-8 settembre 2011 Add to Reading List Source URL: speakerd.s3.amazonaws.com Language: English - Date: 2014-06-04 10:27:00 Theoretical chemistry Spectroscopy Raman spectroscopy Crystal Phonon Chemistry Ab initio quantum chemistry methods Computational chemistry
690	Evolution of Metabolic Networks A Computational Framework Christoph Flamm1 , Alexander Ullrich2 , Heinz Ekker1,3 , Martin Mann4 , Daniel H¨ogerl3 , Markus Rohrschneider5 , Sebastian Sauer1 , Gerik Scheuermann5 , Konstan Add to Reading List Source URL: www.tbi.univie.ac.at Language: English - Date: 2010-02-07 17:34:46 Cheminformatics Mathematical chemistry Theoretical chemistry Chemical kinetics Graph theory Enzyme Chemical reaction Molecular graph Catalysis Chemistry Science Metabolism

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