Molecular orbital

Results: 277



#Item
81Aromaticity / Antibonding / Chemical bond / Pi bond / Benzene / Double bond / Molecular orbital diagram / Conjugated system / Chemistry / Chemical bonding / Molecular orbital

Chapter 15 (pp)� Benzene and Aromaticity� Suggested Problems:� 15.4, 15.10, 15.19, 15.27, 15.31, 15.32, 15.33, 15.35, 15.36, 15.38, 15.41� 15A Introduction and Nomenclature� 15B Stabilityof Aromatic Co

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Source URL: www.chemistry2011.org

Language: English - Date: 2013-03-07 21:10:24
82Quantum chemistry / Molecular physics / Molecular modelling / Molecule / Molecular dynamics / Crystal / Molecular geometry / Molecular orbital / Force field / Chemistry / Computational chemistry / Theoretical chemistry

PDF Document

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Source URL: www.chemits.com

Language: English - Date: 2013-01-11 09:27:28
83Theoretical chemistry / Chemical bonding / Density functional theory / Hybrid functional / Energy minimization / Molecular orbital / Quantum chemistry composite methods / Chemistry / Computational chemistry / Quantum chemistry

8514 J. Phys. Chem. A 2004, 108, Improving the Accuracy of Density-Functional Theory Calculation: The Statistical Correction Approach

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:05
84Transition metals / Computational chemistry / Vanadium / Transition metal oxo complex / Ligand / Crystal / Pyridine / Molecular orbital / N-electron valence state perturbation theory / Chemistry / Chemical bonding / Coordination chemistry

Article pubs.acs.org/IC Terms of Use A Well-Defined Terminal Vanadium(III) Oxo Complex

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Source URL: alchemy.cchem.berkeley.edu

Language: English - Date: 2014-12-13 17:33:51
85Molecular physics / Theoretical chemistry / Atomic physics / Crystal / Adsorption / Density functional theory / Molecular orbital / Atomic orbital / Chemical bond / Chemistry / Quantum chemistry / Chemical bonding

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

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Source URL: alchemy.cchem.berkeley.edu

Language: English - Date: 2014-01-21 21:55:07
86Chemical bonding / Molecular physics / Theoretical chemistry / Vibronic coupling / Transition metal / Molecular orbital / Energy level / Coordination complex / Tris(acetylacetonato)iron / Chemistry / Quantum chemistry / Coordination chemistry

Chemical Science View Article Online EDGE ARTICLE Downloaded on 01 December 2012

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Source URL: alchemy.cchem.berkeley.edu

Language: English - Date: 2012-12-03 12:45:02
87Catalysis / Quantum chemistry / Energy storage / Hydrogen storage / Physisorption / Chemisorption / Molecular orbital / Adsorption / Chemical bond / Chemistry / Chemical bonding / Surface chemistry

Article pubs.acs.org/JACS Hydrogen Physisorption on Metal−Organic Framework Linkers and Metalated Linkers: A Computational Study of the Factors That Control Binding Strength

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Source URL: alchemy.cchem.berkeley.edu

Language: English - Date: 2014-12-31 11:33:11
88Chemical 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

Submitted to Journal of Chemical Theory and Computation rR Fo An Effective Hamiltonian Molecular Orbital©¤Valence Bond (MOVB)

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Source URL: www.dtc.umn.edu

Language: English - Date: 2012-08-16 12:29:07
89Molecular orbital / Antibonding / Pi backbonding / Orbital hybridisation / Pi bond / Delta bond / Chemical bond / Energy level / Natural bond orbital / Chemistry / Chemical bonding / Quantum chemistry

J. Phys. Chem. B 2004, 108, [removed]17337 Why Does Disubstituted Hexamolybdate with Arylimido Prefer to Form an Orthogonal Derivative? Analysis of Stability, Bonding Character, and Electronic Properties on

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:07
90Chemical bond / Electron density / Electrophile / VSEPR theory / Electron / Borane / Molecule / Orbital hybridisation / Molecular graphics / Chemistry / Quantum chemistry / Physics

Molecular Modeling in Undergraduate Chemistry Education Warren J. Hehre Wavefunction, Inc.

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Source URL: www.ch.ic.ac.uk

Language: English - Date: 2006-08-25 06:22:21
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