Matrix Isolation Infrared Spectroscopic and Density Functional Study of the Mechanism of the Oxidation of CH3OH by CrCl2O2

1998 ◽  
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pp. 6105-6112 ◽  
Author(s):  
Bruce S. Ault
Keyword(s):  
Density Functional ◽  
Matrix Isolation ◽  
Functional Study ◽  
Density Functional Study ◽  
Infrared Spectroscopic

Pentachlorocyclopropane/Base Complexes:  Matrix Isolation Infrared Spectroscopic and Density Functional Study of C−H- - -N Hydrogen Bonds

2005 ◽  
Vol 109 (37) ◽  
pp. 8280-8289 ◽  
Author(s):  
Alexander B. Baker ◽  
Cindy Samet ◽  
Jonathan T. Lyon ◽  
Lester Andrews
Keyword(s):  
Hydrogen Bonds ◽  
Density Functional ◽  
Matrix Isolation ◽  
Functional Study ◽  
Density Functional Study ◽  
Infrared Spectroscopic

Reactions of titanium oxides with water molecules. A matrix isolation FTIR and density functional study

2001 ◽  
Vol 343 (1-2) ◽  
pp. 178-184 ◽  
Author(s):  
Limin Shao ◽  
Luning Zhang ◽  
Mohua Chen ◽  
Hao Lu ◽  
Mingfei Zhou
Keyword(s):  
Density Functional ◽  
Matrix Isolation ◽  
Functional Study ◽  
Water Molecules ◽  
Titanium Oxides ◽  
Density Functional Study

scholarly journals Spectra and structures of the Pdm-CO complexes: An infrared matrix isolation and density functional study

2019 ◽  
Vol 361 ◽  
pp. 8-15 ◽  
Author(s):  
M.E. Alikhani ◽  
S.M.O. Souvi ◽  
M. Ibrahim ◽  
B. Tremblay
Keyword(s):  
Density Functional ◽  
Matrix Isolation ◽  
Functional Study ◽  
Density Functional Study

Matrix Isolation and Density Functional Study of the Reaction of OVCl3with CH3SH

2000 ◽  
Vol 104 (50) ◽  
pp. 11796-11800 ◽  
Author(s):  
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Keyword(s):  
Density Functional ◽  
Matrix Isolation ◽  
Functional Study ◽  
Density Functional Study

Reactions of Titanium Dioxides with Acetylene Molecules. A Matrix Isolation FTIR and Density Functional Study

2003 ◽  
Vol 107 (12) ◽  
pp. 1935-1940 ◽  
Author(s):  
Lei Miao ◽  
Jian Dong ◽  
Liang Yu ◽  
Mingfei Zhou
Keyword(s):  
Density Functional ◽  
Matrix Isolation ◽  
Functional Study ◽  
Density Functional Study ◽  
Titanium Dioxides

Argon-matrix-isolation Raman spectra and density functional study of 1,3-butadiene conformers

1999 ◽  
Vol 102 (1-6) ◽  
pp. 196-206 ◽  
Author(s):  
Cheol Ho Choi ◽  
Miklos Kertesz ◽  
Sergey Dobrin ◽  
Josef Michl
Keyword(s):  
Raman Spectra ◽  
Density Functional ◽  
Matrix Isolation ◽  
Functional Study ◽  
Argon Matrix ◽  
Density Functional Study

Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

10.1002/jcc.5 ◽  
1996 ◽  
Vol 17 (16) ◽  
pp. 1848-1856 ◽  
Author(s):  
Guntram Rauhut
Keyword(s):  
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Functional Study ◽  
Density Functional Study

Density Functional Study of the First-Row Transition-Metal Monoxides*

1996 ◽  
Vol 1 (1) ◽  
pp. 39-49
Author(s):  
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M. Suffczyński
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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