Anisole as an Ambidentate Ligand:  Ab Initio Molecular Orbital Study of Alkali Metal Cations Binding to Anisole

1999 ◽  
Vol 103 (48) ◽  
pp. 9815-9820 ◽  
Author(s):  
John B. Nicholas ◽  
Benjamin P. Hay
Keyword(s):  
Alkali Metal ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Metal Cations ◽  
Alkali Metal Cations ◽  
Molecular Orbital Study ◽  
Orbital Study ◽  
Ambidentate Ligand

Ab Initio Molecular Orbital Study of Cation−π Binding between the Alkali-Metal Cations and Benzene

1999 ◽  
Vol 103 (10) ◽  
pp. 1394-1400 ◽  
Author(s):  
John B. Nicholas ◽  
Benjamin P. Hay ◽  
David A. Dixon
Keyword(s):  
Alkali Metal ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Metal Cations ◽  
Alkali Metal Cations ◽  
Molecular Orbital Study ◽  
Orbital Study

Effect of ion-exchanged alkali metal cations on the photolysis of 2-pentanone included within ZSM-5 zeolite cavities: a study of ab initio molecular orbital calculations

2001 ◽  
Vol 27 (1-2) ◽  
pp. 89-102 ◽  
Author(s):  
Hiromi Yamashita ◽  
Makoto Nishimura ◽  
Hirotada Bessho ◽  
Shingo Takada ◽  
Takahito Nakajima ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Metal Cations ◽  
Molecular Orbital Calculations ◽  
Alkali Metal Cations

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
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