The relation between hydrogen-bond strengths and vibrational frequency shifts: a theoretical study of complexes of oxygen and nitrogen proton acceptors and water
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
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1. Relationships between Bond Strength and Spectroscopic Quantities in H-Bonds and Related Halogen, Chalcogen, and Pnicogen Bonds;The Journal of Physical Chemistry A;2020-09-08
2. The Badger–Bauer Rule Revisited: Correlation of Proper Blue Frequency Shifts in the OC Hydrogen Acceptor with Morphed Hydrogen Bond Dissociation Energies in OC–HX (X = F, Cl, Br, I, CN, CCH);The Journal of Physical Chemistry A;2013-08-20
3. An ab initio study of water–oxygen complexes (O2–Wn, n=1–6) in the ground and lowest singlet excited states;Journal of Molecular Structure: THEOCHEM;2003-04
4. Density functional calculations on simple carbonyl bases: protonation and hydrogen bond formation with water;Chemical Physics;2000-05
5. Correlations between ab initio and experimental data for isolated 1:1 hydrogen-bonded complexes of pyridine and imidazole derivatives with water;Journal of Molecular Structure;1999-02
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