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Molecular orbital theory
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21	8514 J. Phys. Chem. A 2004, 108, Improving the Accuracy of Density-Functional Theory Calculation: The Statistical Correction Approach Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:05 Theoretical chemistry Chemical bonding Density functional theory Hybrid functional Energy minimization Molecular orbital Quantum chemistry composite methods Chemistry Computational chemistry Quantum chemistry
22	Article pubs.acs.org/IC Terms of Use A Well-Deﬁned Terminal Vanadium(III) Oxo Complex Add to Reading List Source URL: alchemy.cchem.berkeley.edu Language: English - Date: 2014-12-13 17:33:51 Transition metals Computational chemistry Vanadium Transition metal oxo complex Ligand Crystal Pyridine Molecular orbital N-electron valence state perturbation theory Chemistry Chemical bonding Coordination chemistry
23	Article pubs.acs.org/JACS Design of a Metal−Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4 Kyuho Lee,†,‡,§,◆ William C. Isley, III,‡,∥,◆ Allison L. Dzubak,‡,∥,◆ Pragya Verm Add to Reading List Source URL: alchemy.cchem.berkeley.edu Language: English - Date: 2014-01-21 21:55:07 Molecular physics Theoretical chemistry Atomic physics Crystal Adsorption Density functional theory Molecular orbital Atomic orbital Chemical bond Chemistry Quantum chemistry Chemical bonding
24	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
25	Molecular Modeling in Undergraduate Chemistry Education Warren J. Hehre Wavefunction, Inc. Add to Reading List Source URL: www.ch.ic.ac.uk Language: English - Date: 2006-08-25 06:22:21 Chemical bond Electron density Electrophile VSEPR theory Electron Borane Molecule Orbital hybridisation Molecular graphics Chemistry Quantum chemistry Physics
26	J. Phys. Chem. A XXXX, xxx, 000 A On the Construction of Diabatic and Adiabatic Potential Energy Surfaces Based on Ab Initio Valence Bond Theory† Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:06 Computational chemistry Chemical bonding Theoretical chemistry Quantum mechanics Diabatic Resonance Molecular orbital theory Valence bond theory Chemical bond Chemistry Physics Quantum chemistry
27	J. Phys. Chem. C 2008, 112, 16655–[removed]Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Theoretical chemistry Dye-sensitized solar cells Ultraviolet radiation Crystal Time-dependent density functional theory Molecular orbital Titanium dioxide Chemistry Computational chemistry Quantum chemistry
28	8514 J. Phys. Chem. A 2004, 108, [removed]Improving the Accuracy of Density-Functional Theory Calculation: The Statistical Correction Approach Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:05 Theoretical chemistry Chemical bonding Density functional theory Hybrid functional Energy minimization Molecular orbital Quantum chemistry composite methods Chemistry Computational chemistry Quantum chemistry
29	Low-energy Charged Particles in Atomic and Molecular Gases Michael A. Morrison, R. E. Robson, and R. D. White Contents Version 2.12: February 13, 2006 Preface Add to Reading List Source URL: www.nhn.ou.edu Language: English - Date: 2006-08-16 16:52:23 Quantum electrodynamics Chemical bonding Quantum chemistry Electron Kinetic theory Gas Molecular orbital Mean free path Atomic orbital Physics Introductory physics Scattering
30	OCHeM.com ©1999 Thomas Poon Introductory Topics \| General Chemistry Review Learning Objectives Add to Reading List Source URL: ochem.jsd.claremont.edu Language: English - Date: 2014-08-22 19:58:02 Lewis structure Chemical bond VSEPR theory Orbital hybridisation Resonance Energy level Molecular orbital theory Molecular geometry Molecule Chemistry Chemical bonding Quantum chemistry

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