화학공학소재연구정보센터
검색결과 : 17건
No. Article
1 Force Based Canonical Approximation of Molecular Potentials: Average Force versus Pointwise Force
Walton JR, Rivera-Rivera LA
Journal of Physical Chemistry A, 124(8), 1648, 2020
2 Canonical Approach To Generate Multidimensional Potential Energy Surfaces
Walton JR, Rivera-Rivera LA, Lucchese RR, Bevan JW
Journal of Physical Chemistry A, 123(2), 537, 2019
3 Canonical Approaches to Applications of the Virial Theorem
Walton JR, Rivera-Rivera LA, Lucchese RR, Bevan JW
Journal of Physical Chemistry A, 120(5), 817, 2016
4 Canonical Force Distributions in Pairwise Interatomic Interactions from the Perspective of the Hellmann-Feynman Theorem
Walton JR, Rivera-Rivera LA, Lucchese RR, Bevan JW
Journal of Physical Chemistry A, 120(20), 3718, 2016
5 Morse, Lennard-Jones, and Kratzer Potentials: A Canonical Perspective with Applications
Walton JR, Rivera-Rivera LA, Lucchese RR, Bevan JW
Journal of Physical Chemistry A, 120(42), 8347, 2016
6 From H-2(+) to the multidimensional potential of the intermolecular interaction Ar.HBr: A canonical approach
Walton JR, Rivera-Rivera LA, Lucchese RR, Bevan JW
Chemical Physics Letters, 639, 63, 2015
7 Canonical Potentials and Spectra within the Born-Oppenheimer Approximation
Walton JR, Rivera-Rivera LA, Lucchese RR, Bevan JW
Journal of Physical Chemistry A, 119(25), 6753, 2015
8 A molecular dynamics study of the relaxation of an excited molecule in crystalline nitromethane
Rivera-Rivera LA, Siavosh-Haghighi A, Sewell TD, Thompson DL
Chemical Physics Letters, 608, 120, 2014
9 A Unified Perspective on the Nature of Bonding in Pairwise Interatomic Interactions
Lucchese RR, Rosales CK, Rivera-Rivera LA, McElmurry BA, Bevan JW, Walton JR
Journal of Physical Chemistry A, 118(32), 6287, 2014
10 A Classical Trajectory Study of the Dissociation and lsomerization of C2H5
Wagner AF, Rivera-Rivera LA, Bachellerie D, Perry JW, Thompson DL
Journal of Physical Chemistry A, 117(46), 11624, 2013