A model potential for the internal rotation of nitrosyl hyperfluorite. A comparative analysis of different theoretical methods
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference21 articles.
1. Analytic evaluation of energy gradients for the singles and doubles coupled cluster method including perturbative triple excitations: Theory and applications to FOOF and Cr2
2. Structures and vibrational frequencies of FOOF and FONO using density functional theory
3. Infrared spectroscopic evidence for matrix isolated ``nitrosyl hypofluorite,'' an isomer of nitryl fluoride
4. Vibrational potential function and structure of nitrosyl hypofluorite by normal coordinate analysis
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1. Hardness and the Potential Energy Function in Internal Rotations: A Generalized Symmetry-Adapted Interpolation Procedure;Biocomputing;2002
2. Theoretical study and rate constants for the unimolecular isomerization of YONO (Y=F, Cl and Br);Journal of Molecular Structure: THEOCHEM;2001-04
3. Studies of isomer stability using the maximum hardness principle (MHP);International Journal of Quantum Chemistry;2000
4. Generalized symmetry-adapted interpolation procedure for finding transition states in internal rotations;International Journal of Quantum Chemistry;1999
5. Classical Trajectory Study of the Cis−Trans Isomerization and F−O Dissociation of FONO;The Journal of Physical Chemistry A;1998-10-10
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