An Ab Initio Study on the Coordination of Formaldehyde, Carbon Dioxide, Dinitrogen, and Related Molecules to Iron(0) and Nickel(0) Fragments

1989 ◽  
pp. 85-94
Author(s):  
M. Rosi ◽  
A. Sgamellotti ◽  
F. Tarantelli ◽  
C. Floriani
Keyword(s):  
Carbon Dioxide ◽  
Ab Initio ◽  
Ab Initio Study

scholarly journals Spectroscopic characterization of the complex of vinyl radical and carbon dioxide: Matrix isolation and ab initio study

2017 ◽  
Vol 147 (18) ◽  
pp. 184301 ◽  
Author(s):  
Sergey V. Ryazantsev ◽  
Daniil A. Tyurin ◽  
Vladimir I. Feldman ◽  
Leonid Khriachtchev
Keyword(s):  
Carbon Dioxide ◽  
Ab Initio ◽  
Matrix Isolation ◽  
Spectroscopic Characterization ◽  
Ab Initio Study ◽  
Vinyl Radical

Ab initio study of bis(nitrogen dioxide)(1+) and bis(carbon dioxide)(1-) ions

1980 ◽  
Vol 102 (8) ◽  
pp. 2621-2626 ◽  
Author(s):  
Y. Yoshioka ◽  
K. D. Jordan
Keyword(s):  
Carbon Dioxide ◽  
Nitrogen Dioxide ◽  
Ab Initio ◽  
Ab Initio Study

Ab initio study of spin-forbidden unimolecular decomposition of carbon dioxide

2000 ◽  
Vol 256 (2) ◽  
pp. 169-176 ◽  
Author(s):  
Der-Yan Hwang ◽  
Alexander M. Mebel
Keyword(s):  
Carbon Dioxide ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Unimolecular Decomposition

An ab initio study on the transition path of carbon dioxide at high pressure: Evidence for a new intermediate P4‾m2 phase

2019 ◽  
Vol 21 ◽  
pp. e00429
Author(s):  
I. Benabdelkader ◽  
H. Bendaoud ◽  
K.O. Obodo ◽  
L. Beldi ◽  
B. Bouhafs
Keyword(s):  
Carbon Dioxide ◽  
High Pressure ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Transition Path

Ab initio study of the carbon dioxide dimer and the carbon dioxide ion complexes [(CO2)2+ and (CO2)3+]

1987 ◽  
Vol 91 (13) ◽  
pp. 3489-3494 ◽  
Author(s):  
Andreas J. Illies ◽  
Michael L. McKee ◽  
H. Bernhard. Schlegel
Keyword(s):  
Carbon Dioxide ◽  
Ab Initio ◽  
Ab Initio Study

Ab initio study of energy, structure and dynamics of the water–carbon dioxide complex

1998 ◽  
Vol 109 (10) ◽  
pp. 3919-3927 ◽  
Author(s):  
Joanna Sadlej ◽  
Jan Makarewicz ◽  
Grzegorz Chałasiński
Keyword(s):  
Carbon Dioxide ◽  
Ab Initio ◽  
Energy Structure ◽  
Ab Initio Study ◽  
Structure And Dynamics

Ab initio study of the hydration of carbon dioxide: Additional comments based on refined calculations

1987 ◽  
Vol 150 (3-4) ◽  
pp. 319-325 ◽  
Author(s):  
Minh Tho Nguyen ◽  
Anthony F. Hegarty ◽  
Tae-Kyu Ha
Keyword(s):  
Carbon Dioxide ◽  
Ab Initio ◽  
Ab Initio Study
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