Quantum-chemical study of the electronic structure of adsorption complexes of molecular nitrogen with iron by the X?-SW method

1988 ◽  
Vol 24 (3) ◽  
pp. 257-267
Author(s):  
A. G. Guzikevich ◽  
A. A. Chuiko ◽  
V. K. Yatsimirskii
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Molecular Nitrogen ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Adsorption Complexes

18 Molecular Nitrogen Fixation with Hydroperoxyl Radicals: A Theoretical and Quantum Chemical Study

2016 ◽  
pp. 319-340
Author(s):  
A. A. Ijagbuji ◽  
E. V. Poshtarëva ◽  
A. N. Reisser ◽  
V. V. Schwarzkopf ◽  
T. C. Philips ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Quantum Chemical ◽  
Molecular Nitrogen ◽  
Quantum Chemical Study ◽  
Chemical Study

Quantum-chemical study of the relation between electronic structure and pA2 in a series of 5-substituted tryptamines

1985 ◽  
Vol 28 (4) ◽  
pp. 421-428 ◽  
Author(s):  
J. S. Gomez-Jeria ◽  
D. Morales-Lagos ◽  
J. I. Rodriguez-Gatica ◽  
J. C. Saavedra-Aguilar
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

Quantum-Chemical Study of the Diatomic Hydrides Electronic Structure

1989 ◽  
Vol 22 (2) ◽  
pp. 211-236 ◽  
Author(s):  
B. F. Minaev ◽  
A. E. Buketova ◽  
Z. M. Muldahmetov
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

Quantum chemical study of the geometric and electronic structure of the FeC2 molecule

1999 ◽  
Vol 310 (5-6) ◽  
pp. 515-522 ◽  
Author(s):  
Alexei V. Arbuznikov ◽  
Marc Hendrickx ◽  
Luc G. Vanquickenborne
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

Quantum chemical study of the geometrical and electronic structure of niobium pentafluoride

1999 ◽  
Vol 40 (4) ◽  
pp. 509-514 ◽  
Author(s):  
E. L. Voit ◽  
A. V. Voit ◽  
V. K. Goncharuk ◽  
V. I. Sergienko
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

Electronic structure of 1,3-dinitrobenzene radical anion: A multiconfigurational quantum chemical study

2005 ◽  
Vol 54 (12) ◽  
pp. 2735-2737 ◽  
Author(s):  
M. N. Mikhailov ◽  
A. S. Mendkovich ◽  
M. B. Kuz’minskii ◽  
V. A. Kapranov ◽  
A. I. Rusakov
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Radical Anion ◽  
Quantum Chemical Study ◽  
Chemical Study
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