The stability of η2-H2borane complexes – a theoretical investigation

2014 ◽  
Vol 43 (36) ◽  
pp. 13571-13577 ◽  
Author(s):  
László Könczöl ◽  
Gábor Turczel ◽  
Tamás Szpisjak ◽  
Dénes Szieberth
Keyword(s):  
Electronic Structure ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Nbo Analysis ◽  
Electronic Effects ◽  
Electronic Effects Of Substituents ◽  
New Type ◽  
The Stability ◽  
Mo Theory

A comprehensive quantum chemical study reveals the electronic structure and stability of novel η2-H2BR3complexes. The electronic effects of substituents are investigated using NBO analysis and MO theory. A new type of natural pentavalent borane compound is also presented.

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
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