Semiempirical Determination of the Hydrogen Bond Energy for Water Clusters in the Vapor Phase. I. General Theory and Application to the Dimer

1969 ◽  
Vol 50 (10) ◽  
pp. 4402-4407 ◽  
Author(s):  
Richard W. Bolander ◽  
James L. Kassner ◽  
Joseph T. Zung
Keyword(s):  
Hydrogen Bond ◽  
General Theory ◽  
Phase I ◽  
Vapor Phase ◽  
Bond Energy ◽  
Water Clusters ◽  
Hydrogen Bond Energy

Relation between hydrogen bond energy and total surface energy of some hydrogen bonded liquids

2010 ◽  
Vol 83 (5-6) ◽  
pp. 197-200
Author(s):  
K. Srinivasa Manja ◽  
B. Krishnan ◽  
T. K. Nambinarayanan ◽  
A. Srinivasa Rao
Keyword(s):  
Hydrogen Bond ◽  
Surface Energy ◽  
Bond Energy ◽  
Total Surface Energy ◽  
Hydrogen Bond Energy ◽  
Hydrogen Bonded

Correlations of NHN hydrogen bond energy with geometry and1H NMR chemical shift difference of NH protons for aniline complexes

2019 ◽  
Vol 150 (11) ◽  
pp. 114305 ◽  
Author(s):  
E. Yu. Tupikina ◽  
M. Sigalov ◽  
I. G. Shenderovich ◽  
V. V. Mulloyarova ◽  
G. S. Denisov ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Chemical Shift ◽  
Bond Energy ◽  
Nmr Chemical Shift ◽  
Hydrogen Bond Energy ◽  
Chemical Shift Difference

Evaluating the Predictive Abilities of Protocols Based on Hydrogen-Bond Propensity, Molecular Complementarity, and Hydrogen-Bond Energy for Cocrystal Screening

2020 ◽  
Vol 20 (11) ◽  
pp. 7320-7327
Author(s):  
Nandini Sarkar ◽  
Nina C. Gonnella ◽  
Mariusz Krawiec ◽  
Dongyue Xin ◽  
Christer B. Aakeröy
Keyword(s):  
Hydrogen Bond ◽  
Bond Energy ◽  
Hydrogen Bond Energy ◽  
Molecular Complementarity ◽  
Cocrystal Screening

Hydrogen bond energy and proton-donating ability of fluorinated alcohols

1980 ◽  
Vol 33 (3) ◽  
pp. 950-955 ◽  
Author(s):  
A. V. Iogansen ◽  
G. A. Kurkchi ◽  
V. M. Furman ◽  
V. P. Glazunov ◽  
S. E. Odinokov
Keyword(s):  
Hydrogen Bond ◽  
Bond Energy ◽  
Hydrogen Bond Energy ◽  
Fluorinated Alcohols
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