Molecular orbital

Results: 277



#Item
231Molecular orbital / Orbital hybridisation / Chemical bond / Natural bond orbital / Antibonding / Atomic orbital / Basis set / Covalent bond / Electronic effect / Chemistry / Chemical bonding / Quantum chemistry

Microsoft PowerPoint - lecture 2 retooled.ppt

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Source URL: isites.harvard.edu

Language: English - Date: 2010-09-03 01:12:45
232Valence electron / Ionic bond / Covalent bond / Metallic bond / Valence band / Molecular orbital / Semiconductor / Solid / Orbital hybridisation / Chemistry / Chemical bonding / Chemical bond

4. Ceramics and Semiconductors. In this chapter we analyze the consequences of a filled valence band. The chemical bond that is obtained in this case is covalent for elemental solids and ionic or mixed

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Source URL: www.stevens.edu

Language: English - Date: 2009-05-15 17:07:02
233Quantum chemistry / Molecular physics / Supramolecular chemistry / Hydrogen bond / Chemical bond / Properties of water / Force field / Molecular orbital / Water cluster / Chemistry / Chemical bonding / Intermolecular forces

Published on Web[removed]The Secret of Dimethyl Sulfoxide-Water Mixtures. A Quantum

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Source URL: www.researchgate.net

Language: English
234Computational chemistry / Theoretical chemistry / Atomic physics / Antibonding / Tight binding / Chemical bond / Atomic orbital / Basis set / Molecular dynamics / Chemistry / Quantum chemistry / Chemical bonding

Lecture notes on Tight-Binding Molecular Dynamics, and Tight-Binding justification of classical potentials Furio Ercolessi

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Source URL: www.ud.infn.it

Language: English - Date: 2010-11-03 19:11:39
235Orbital hybridisation / Molecular orbital / Valence bond theory / Chemical bond / Antibonding / Electron configuration / Atomic orbital / Valence electron / Methane / Chemistry / Chemical bonding / Quantum chemistry

A Molecular Orbital Approach to Bonding in Methane Frank Rioux Department of Chemistry

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Source URL: www.users.csbsju.edu

Language: English - Date: 2009-10-13 09:59:09
236Theoretical chemistry / Multi-configurational self-consistent field / Electronic correlation / GAMESS / Complete active space / Configuration interaction / Coupled cluster / Multireference configuration interaction / Molecular orbital / Chemistry / Computational chemistry / Quantum chemistry

ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT

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Source URL: www.msg.ameslab.gov

Language: English - Date: 2013-11-12 12:28:35
237Quantum chemistry / Periodic table / Chemical properties / Molecular physics / Electron configuration / Atomic orbital / Block / Ionization energy / Valence electron / Chemistry / Physics / Atomic physics

The continuation of the periodic table up to Z=172. The chemistry of superheavy elements

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Source URL: kobra.bibliothek.uni-kassel.de

Language: English - Date: 2012-08-23 08:31:19
238Molecular orbital / Orbital hybridisation / Antibonding / Atomic orbital / Chemical bond / Valence bond theory / Energy level / Electron configuration / Non-bonding orbital / Chemistry / Chemical bonding / Quantum chemistry

Chapter 2: Molecular Structure and Bonding Bonding Theories 1. VSEPR Theory

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Source URL: www.chem.latech.edu

Language: English - Date: 2011-01-13 10:40:55
239Free radicals / Reactive intermediates / Non-Kekulé molecule / Organic chemistry / Nitrene / Carbene / Molecular orbital / Diradical / Chemical bond / Chemistry / Chemical bonding / Quantum chemistry

biradical An even-electron molecular entity with two (possibly delocalized) radical centres which act nearly independently of each other, e.g.

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Source URL: old.iupac.org

Language: English - Date: 1999-08-11 14:32:12
240Chemical bonding / Computational chemistry / Molecular physics / Theoretical chemistry / Molecular orbital / Atomic orbital / Localized molecular orbitals / Linear combination of atomic orbitals / Electron / Chemistry / Physics / Quantum chemistry

molecular orbital A one-electron wavefunction describing an electron moving in the effective field provided by the nuclei and all other electrons of a molecular entity

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Source URL: old.iupac.org

Language: English - Date: 1999-08-11 16:00:57
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