Ab initio dynamical models of weakly bonded complexes in the atmosphere

2000 ◽  
Author(s):  
L. P. Sukhanov ◽  
V. V. Zheleznyakov ◽  
N. L. Zakamskaya ◽  
Shavkat S. Nabiev
Keyword(s):  
Ab Initio ◽  
Dynamical Models ◽  
Weakly Bonded Complexes ◽  
Bonded Complexes

Electrostatics-guided ab initio studies on weakly bonded complexes of substituted naphthalenes

2004 ◽  
Vol 384 (4-6) ◽  
pp. 350-356 ◽  
Author(s):  
Shridhar R. Gadre ◽  
Milind M. Deshmukh ◽  
Tapas Chakraborty
Keyword(s):  
Ab Initio ◽  
Weakly Bonded Complexes ◽  
Bonded Complexes

scholarly journals A test of ab initio-generated, radial intermolecular potential energy functions for five axially-symmetric, hydrogen-bonded complexes B⋯HF, where B = N2, CO, PH3, HCN and NH3

2021 ◽  
Vol 23 (12) ◽  
pp. 7271-7279
Author(s):  
Anthony C. Legon
Keyword(s):  
Hydrogen Bond ◽  
Potential Energy ◽  
Ab Initio ◽  
Intermolecular Potential ◽  
Axially Symmetric ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Acceptor Atom ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Radial P.E. functions of hydrogen-bonded complexes B⋯HF (B = N2, CO, PH3, HCN and NH3) have been calculated ab initio at the CCSD(T)(F12C)/cc-pVTZ-F12 level as a function of the hydrogen-bond length r(Z⋯H), where Z is the H-bond acceptor atom of B.

An ab initio investigation of some hydrogen-bonded complexes of methanethiol

2010 ◽  
Vol 976 (1-3) ◽  
pp. 115-118 ◽  
Author(s):  
Bradley C. Bricknell ◽  
Thomas A. Ford
Keyword(s):  
Ab Initio ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Photoinitiated reactions in weakly bonded complexes

1988 ◽  
Vol 21 (9) ◽  
pp. 341-347 ◽  
Author(s):  
C. Wittig ◽  
S. Sharpe ◽  
R. A. Beaudet
Keyword(s):  
Weakly Bonded Complexes ◽  
Bonded Complexes
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