Sodium and Lithium Environments in Single- and Mixed-Alkali Silicate Glasses. An ab Initio Molecular Orbital Study

1999 ◽  
Vol 103 (11) ◽  
pp. 1854-1858 ◽  
Author(s):  
Takashi Uchino ◽  
Toshinobu Yoko
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Silicate Glasses ◽  
Mixed Alkali ◽  
Molecular Orbital Study ◽  
Alkali Silicate ◽  
Orbital Study

AB initio molecular orbital study on the vibrational spectra of silicate glasses

1987 ◽  
Vol 95-96 ◽  
pp. 225-232 ◽  
Author(s):  
Morio Murakami ◽  
Sumio Sakka
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Vibrational Spectra ◽  
Silicate Glasses ◽  
Molecular Orbital Study ◽  
Orbital Study

Changes in the structure of alkali-metal silicate glasses with the type of network modifier cation: an ab initio molecular orbital study

1992 ◽  
Vol 96 (6) ◽  
pp. 2455-2463 ◽  
Author(s):  
Takashi Uchino ◽  
Tetsuo Sakka ◽  
Yukio Ogata ◽  
Matae Iwasaki
Keyword(s):  
Alkali Metal ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Silicate Glasses ◽  
Network Modifier ◽  
Molecular Orbital Study ◽  
Orbital Study ◽  
Metal Silicate ◽  
Modifier Cation

Ab initio molecular orbital study of the gallium arsenide hydrides

1991 ◽  
Vol 95 (20) ◽  
pp. 7668-7673 ◽  
Author(s):  
Charles W. Bock ◽  
Kerwin D. Dobbs ◽  
Gilbert J. Mains ◽  
Mendel Trachtman
Keyword(s):  
Gallium Arsenide ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study

Structures and stabilities of C6H3⨥6 isomers: an ab initio molecular orbital study

1985 ◽  
Vol 113 (2) ◽  
pp. 145-150 ◽  
Author(s):  
Wolfram Koch ◽  
Helmut Schwarz
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study

ab initio Molecular orbital study of disulphur dinitride, S2N2

1976 ◽  
pp. 701 ◽  
Author(s):  
M. P. S. Collins ◽  
B. J. Duke
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study

Ab Initio Molecular Orbital Study of Organometallic Complexes Containing Benzo[b]thiophene

1998 ◽  
Vol 17 (17) ◽  
pp. 3798-3808 ◽  
Author(s):  
Michael S. Palmer ◽  
Stuart Rowe ◽  
Suzanne Harris
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Organometallic Complexes ◽  
Molecular Orbital Study ◽  
Orbital Study

An ab initio molecular orbital study of the SN2 reaction of H− with HF

1975 ◽  
Vol 30 (2) ◽  
pp. 293-295 ◽  
Author(s):  
Paul Baybutt
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Sn2 Reaction ◽  
Orbital Study
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