Activation energies of H2O and H2 diffusions in silica glass: Semi-empirical molecular orbital study.

Masami KANZAKI

doi:10.2465/minerj.19.13

Activation energies of H2O and H2 diffusions in silica glass: Semi-empirical molecular orbital study.

Mineralogical Journal ◽

10.2465/minerj.19.13 ◽

1997 ◽

Vol 19 (1) ◽

pp. 13-19 ◽

Cited By ~ 2

Author(s):

Masami KANZAKI

Keyword(s):

Molecular Orbital ◽

Silica Glass ◽

Activation Energies ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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ChemInform Abstract: SEMI-EMPIRICAL MOLECULAR ORBITAL STUDY OF THE DIBORONTETRAHYDRIDE MOLECULE

Chemischer Informationsdienst ◽

10.1002/chin.197817007 ◽

1978 ◽

Vol 9 (17) ◽

Author(s):

M. K. DATTA ◽

R. DATTA

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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A semi-empirical molecular orbital study of freestanding and fullerene-encapsulated Mo nanoclusters

Molecular Simulation ◽

10.1080/08927020802258724 ◽

2008 ◽

Vol 34 (10-15) ◽

pp. 891-903 ◽

Cited By ~ 7

Author(s):

James A. Elliott ◽

Yasushi Shibuta

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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Semi-empirical molecular orbital study on the hydrolysis reactions of perfluoroisobutene

Journal of Fluorine Chemistry ◽

10.1016/s0022-1139(00)83738-0 ◽

1991 ◽

Vol 54 (1-3) ◽

pp. 228

Author(s):

R.A. van Gurp ◽

H.P. Benschop

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical ◽

Hydrolysis Reactions

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Ab Initio Molecular Orbital Study on a Linear Relationship between Activation Energies of Menshutkin Reactions and Proton Affinities of Nitrogen Bases

The Journal of Organic Chemistry ◽

10.1021/jo971707f ◽

1998 ◽

Vol 63 (13) ◽

pp. 4228-4234 ◽

Cited By ~ 4

Author(s):

Kenzi Hori ◽

J.-L. M. Abboud ◽

C. Lim ◽

M. Fujio ◽

Y. Tsuno

Keyword(s):

Ab Initio ◽

Linear Relationship ◽

Molecular Orbital ◽

Activation Energies ◽

Proton Affinities ◽

Nitrogen Bases ◽

Molecular Orbital Study ◽

Orbital Study

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Tetraethynylmethane: a semi-empirical molecular orbital study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03916-9 ◽

1995 ◽

Vol 332 (1-2) ◽

pp. 21-23 ◽

Cited By ~ 4

Author(s):

J.F. Capitani

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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Possible Reaction Mechanism for the Formation of C60 From Naphthalene: A Semi-Empirical and Ab Initio Molecular Orbital Study

Fullerene Science and Technology ◽

10.1080/10641229809350201 ◽

1998 ◽

Vol 6 (2) ◽

pp. 283-299 ◽

Cited By ~ 2

Author(s):

Keiko Takano ◽

Maki Mihashi ◽

Tsuneo Hirano

Keyword(s):

Reaction Mechanism ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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Brønsted acid site models for zeolites: a comparative density functional, Hartree-Fock and semi-empirical molecular orbital study

Electronic Journal of Theoretical Chemistry ◽

10.1002/ejtc.30 ◽

2001 ◽

Vol 1 (1) ◽

pp. 172-182 ◽

Cited By ~ 1

Author(s):

K. J. Farnworth ◽

P. J. O'Malley

Keyword(s):

Molecular Orbital ◽

Acid Site ◽

Density Functional ◽

Bronsted Acid ◽

Hartree Fock ◽

Molecular Orbital Study ◽

Orbital Study ◽

Brønsted Acid Site ◽

Brönsted Acid ◽

Semi Empirical

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Chlorinated phenoxy radicals and phenolate anions as precursors of polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) in municipal waste incineration: a semi-empirical AM1 molecular orbital study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(09)80026-2 ◽

1994 ◽

Vol 312 (2) ◽

pp. 139-144 ◽

Cited By ~ 8

Author(s):

Kari Tuppurainen ◽

Ismo Halonen ◽

Juhani Tarhanen ◽

Juhani Ruuskanen

Keyword(s):

Molecular Orbital ◽

Waste Incineration ◽

Municipal Waste ◽

Molecular Orbital Study ◽

Orbital Study ◽

Phenoxy Radicals ◽

Semi Empirical ◽

Municipal Waste Incineration

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Spectral and redox properties of benzodipteridine. A pulse radiolysis, laser flash photolysis and semi-empirical molecular orbital study

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/a604659b ◽

1997 ◽

pp. 795-798 ◽

Cited By ~ 2

Author(s):

Paul F. Heelis ◽

Barry J. Parsons ◽

Yumihiko Yano

Keyword(s):

Molecular Orbital ◽

Pulse Radiolysis ◽

Flash Photolysis ◽

Laser Flash Photolysis ◽

Laser Flash ◽

Redox Properties ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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Interaction of anticonvulsant drugs with metals: a semi-empirical molecular orbital study of phenytoin–zinc(II) complexation

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00601-0 ◽

1999 ◽

Vol 492 (1-3) ◽

pp. 19-28 ◽

Cited By ~ 8

Author(s):

Paul Milne ◽

Minhhuy Hô ◽

Donald F Weaver

Keyword(s):

Molecular Orbital ◽

Anticonvulsant Drugs ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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