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Bond energies and hydrogen density distributions for hydrogen bond
Zeitschrift für Naturforschung A, 2023Abstract The three-body problem for hydrogen bond (X–Y–X; Y=H or D) is discussed assuming symmetrical double minimum of the Morse potentials (X–Y). Two types for hydrogen bond energies are estimated by deriving the confocal elliptic differential equation, and the lowest energy for hydrogen bond may be estimated using the trial function ...
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Crystallography Reviews, 1995
This article focusses on the crystallographic research aimed at a better understanding of hydrogen bonds which has been published since January 1990. In the interest of continuity, earlier work is quoted when it relates to that published during this period.
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This article focusses on the crystallographic research aimed at a better understanding of hydrogen bonds which has been published since January 1990. In the interest of continuity, earlier work is quoted when it relates to that published during this period.
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Dalton Transactions, 2003
AbstractFor Abstract see ChemInform Abstract in Full Text.
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AbstractFor Abstract see ChemInform Abstract in Full Text.
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The Hydrogen Bond, Front and Center
Angewandte Chemie International Edition, 2010Peer ...
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Hydrogen bonding: the role of hydrogen delocalization in the AHB bond
The Journal of Physical Chemistry, 1993The behavior of the A-H...B multiple minimum hydrogen bond can be understood in terms of an analysis similar to the molecular orbital method in molecular electronic quantum theory. Delocalization of hydrogen about two or more wells is described in terms of a linear combination of Gaussian orbitals, each referred to a well minimum.
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Hydrogen Bonding, Hydrogen Transfer, and Halogen Bonding
2023Chaoyang Zhang, Jing Huang, Rupeng Bu
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Physics Bulletin, 1977
P Schuster, G Zundel and C Sandorfy (eds) Amsterdam: North Holland 1976 Vol 1 Theory pp viii + 389 Vol 2 Structure and Spectroscopy pp viii + 391–887 Vol 3 Dynamics, Thermodynamics and Special Systems pp viii + 889–1549 price $173.75 Anyone suffering under the illusion that the hydrogen bond is not of any great significance, and that adequate justice ...
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P Schuster, G Zundel and C Sandorfy (eds) Amsterdam: North Holland 1976 Vol 1 Theory pp viii + 389 Vol 2 Structure and Spectroscopy pp viii + 391–887 Vol 3 Dynamics, Thermodynamics and Special Systems pp viii + 889–1549 price $173.75 Anyone suffering under the illusion that the hydrogen bond is not of any great significance, and that adequate justice ...
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1997
Abstract Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by ...
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Abstract Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by ...
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Triel bond and coordination of triel centres – Comparison with hydrogen bond interaction
Coordination Chemistry Reviews, 2020Slawomir Grabowski
exaly