Molecular orbital theory

Results: 74



#Item
11Abstract algebra / Molecular symmetry / Permutation / Group theory / Group / Spectroscopic notation / Molecular orbital / Point groups in three dimensions / Symmetry / Chemistry / Physics

Pure & Appl. Chern., Vol. 69, No. 8, pp, Printed in Great Britain. Q 1997 IUPAC INTERNATIONAL UNION OF PURE

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Source URL: old.iupac.org

Language: English - Date: 2004-06-03 16:47:33
12Computational chemistry / Hartree–Fock method / Crystal / Molecular orbital theory / Ab initio quantum chemistry methods / Electronic correlation / Coupled cluster / Molecular orbital / Full configuration interaction / Chemistry / Quantum chemistry / Theoretical chemistry

Pure & Appl. Chem.,Vol. 68, No. 2, pp, 1996. Printed in Great Britain. INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY PHYSICAL CHEMISTRY DIVISION

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Source URL: old.iupac.org

Language: English - Date: 2004-06-03 11:40:20
13Quantum chemistry / Molecular orbital theory / Molecular orbital / Atomic orbital / Orbital hybridisation / Chemical bond / Valence bond theory / Linear combination of atomic orbitals / Schrödinger equation / Chemistry / Physics / Chemical bonding

Equilibrium Electrochemistry (Ch10)

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Source URL: ihome.ust.hk

Language: English - Date: 2011-05-11 04:41:58
14Molecular geometry / Molecules / Stereochemistry / Theoretical chemistry / Crystal / Molecular orbital theory / Chemistry / Quantum chemistry / Diatomic molecule

Nagoya University Theoretical Chemistry Colloquium March 14, 2014 (Fri), 16:00-17:00 RCMS, 2nd floor, Chemistry Gallery

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Source URL: www.rcms.nagoya-u.ac.jp

Language: English - Date: 2015-04-17 00:31:59
15Robert Burns Woodward / Houk / Arthur C. Cope Award / Torquoselectivity / Organic reaction / Chemist / Roald Hoffmann / Frontier molecular orbital theory / 1 / 3-Dipolar cycloaddition / Chemistry / Kendall Houk / Quantum chemistry

Arthur C. Cope Award: Kendall N. Houk | Awards | Chemical ... http://pubs.acs.org/isubscribe/journals/cen/88/i08/html/8808awa... Chemical & Engineering News Serving the chemical, life sciences and laboratory worlds

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Source URL: www.chem.ucla.edu

Language: English - Date: 2010-03-31 18:46:35
16Theoretical chemistry / Dye-sensitized solar cells / Ultraviolet radiation / Crystal / Time-dependent density functional theory / Molecular orbital / Titanium dioxide / Chemistry / Computational chemistry / Quantum chemistry

J. Phys. Chem. C 2008, 112, 16655–Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:07
17Molecular orbital / Antibonding / Chemical bond / Bond order / Linear combination of atomic orbitals / Valence bond theory / Sigma bond / Atomic orbital / Electron configuration / Chemistry / Chemical bonding / Quantum chemistry

LectureNotesWithBlanks_14_FA08

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Source URL: www.chemistry2011.org

Language: English - Date: 2013-03-09 12:30:39
18Physical organic chemistry / Thin films / Molecular physics / Self-assembled monolayer / Density functional theory / Molecular orbital / Conjugated system / Electronic band structure / Chemical bond / Chemistry / Nanotechnology / Quantum chemistry

ARTICLE Charge Transport Across Insulating Self-Assembled Monolayers: Non-equilibrium Approaches and Modeling To Relate Current

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Source URL: gmwgroup.harvard.edu

Language: English - Date: 2015-03-05 16:38:24
19Orbital hybridisation / Chemical bond / Molecular orbital / Atomic orbital / Non-bonding orbital / Uranium / Crystal field theory / Electron configuration / Nuclear fuel / Chemistry / Chemical bonding / Quantum chemistry

Density Functional Theory for fission products transport in UO2

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Source URL: www.ne.anl.gov

Language: English - Date: 2013-10-28 18:37:08
20Chemical bonding / Atomic physics / Molecular physics / Theoretical chemistry / Chemical bond / Atomic orbital / Molecular orbital / VSEPR theory / Energy level / Chemistry / Physics / Quantum chemistry

3.091 Summary Lecture Notes, Fall 2009

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Source URL: www.chemistry2011.org

Language: English - Date: 2013-03-09 20:59:23
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