A high level theoretical investigation of the cyclic hydrogen fluoride trimer
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.473861
Reference51 articles.
1. A new ab initio based six-dimensional semi-empirical pair interaction potential for HF
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3. Benchmark calculations with correlated molecular wave functions. VII. Binding energy and structure of the HF dimer
4. Potential surfaces and dynamic of weakly bound trimers: perspectives from high resolution IR spectroscopy
5. Cooperativity in hydrogen bonded clusters: an improved ab initio SCF study on the structure and energetics of neutral, protonated and deprotonated chains and of neutral, cyclic hydrogen fluoride oligomers
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1. New Molecular-Mechanics Model for Simulations of Hydrogen Fluoride in Chemistry and Biology;Journal of Chemical Theory and Computation;2020-07-02
2. Hydrogen bonding in the mixed HF/HCl dimer: Is it better to give or receive?;Journal of Computational Chemistry;2018-01-09
3. Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations;Journal of Chemical Theory and Computation;2014-11-19
4. Quantum mechanical force field for hydrogen fluoride with explicit electronic polarization;The Journal of Chemical Physics;2014-05-28
5. The cyclic ground state structure of the HF trimer revealed by far infrared jet-cooled Fourier transform spectroscopy;Physical Chemistry Chemical Physics;2014
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