A New Approach to Empirical Intermolecular and Conformational Potential Energy Functions. I. Description of Model and Derivation of Parameters

A new approach to estimate viscosity in dilute and dense pure fluid states by using generalized friction theory based on pair interaction potential energy functions

Journal of Molecular Liquids ◽

10.1016/j.molliq.2011.10.008 ◽

2012 ◽

Vol 165 ◽

pp. 55-62 ◽

Cited By ~ 8

Author(s):

N. Mansoori Oghaz ◽

E. Ghiamati ◽

B. Haghighi ◽

A. Eskandari Nasrabad ◽

M.M. Papari ◽

...

Keyword(s):

Potential Energy ◽

Interaction Potential ◽

Pair Interaction ◽

Energy Functions ◽

New Approach ◽

Friction Theory ◽

Pure Fluid ◽

Pair Interaction Potential ◽

Interaction Potential Energy

ChemInform Abstract: A NEW APPROACH TO EMPIRICAL INTERMOLECULAR AND CONFORMATIONAL POTENTIAL ENERGY FUNCTIONS. III. APPLICATION OF EPEN TO THE CONFORMATIONAL ANALYSIS OF 1,2-DISUBSTITUTED ETHANES

Chemischer Informationsdienst ◽

10.1002/chin.197613062 ◽

1976 ◽

Vol 7 (13) ◽

pp. no-no

Author(s):

ANTONY W. BURGESS ◽

LESTER L. SHIPMAN ◽

RAPHAEL A. NEMENOFF ◽

HAROLD A. SCHERAGA

Keyword(s):

Potential Energy ◽

Conformational Analysis ◽

Energy Functions ◽

New Approach ◽

A new approach to empirical intermolecular and conformational potential energy functions. III. Application of EPEN to the conformational analysis of 1,2-disubstituted ethanes

Journal of the American Chemical Society ◽

10.1021/ja00417a005 ◽

1976 ◽

Vol 98 (1) ◽

pp. 23-29 ◽

Cited By ~ 29

Author(s):

Antony W. Burgess ◽

Lester L. Shipman ◽

Raphael A. Nemenoff ◽

Harold A. Scheraga

Keyword(s):

Potential Energy ◽

Conformational Analysis ◽

Energy Functions ◽

New Approach ◽

A new approach to empirical intermolecular and conformational potential energy functions. II. Applications to crystal packing, rotational barriers, and conformational analysis.

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.72.3.854 ◽

1975 ◽

Vol 72 (3) ◽

pp. 854-858 ◽

Cited By ~ 21

Author(s):

A. W. Burgess ◽

L. L. Shipman ◽

H. A. Scheraga

Keyword(s):

Potential Energy ◽

Conformational Analysis ◽

Crystal Packing ◽

Energy Functions ◽

New Approach ◽

Rotational Barriers

Potential energy functions for the ground state surfaces of SO2 and S2O

Molecular Physics ◽

10.1080/00268978500102751 ◽

1985 ◽

Vol 56 (4) ◽

pp. 839-851 ◽

Cited By ~ 10

Author(s):

J.N. Murrell ◽

W. Craven ◽

M. Vincent ◽

Z.H. Zhu

Keyword(s):

Potential Energy ◽

Ground State ◽

Energy Functions ◽

Multiple-Sequence Information Provides Protection against Mis-Specified Potential Energy Functions in the Lattice Model of Proteins

Physical Review Letters ◽

10.1103/physrevlett.85.5242 ◽

2000 ◽

Vol 85 (24) ◽

pp. 5242-5245 ◽

Cited By ~ 3

Author(s):

Yan Cui ◽

Wing Hung Wong

Keyword(s):

Potential Energy ◽

Lattice Model ◽

Sequence Information ◽

Multiple Sequence ◽

Energy Functions ◽

Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. III. Stretching vibrations of hydrogen cyanide and acetylenes

Chemical Physics ◽

10.1016/0301-0104(82)85079-9 ◽

1982 ◽

Vol 68 (1-2) ◽

pp. 41-63 ◽

Cited By ~ 88

Author(s):

Peter Botschwina

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Hydrogen Cyanide ◽

Vibrational Frequencies ◽

Energy Functions ◽

Empirical Potential ◽

Stretching Vibrations

Potential energy curves and analytical potential energy functions of the metastable states of B 2 ++

Chinese Physics ◽

10.1088/1009-1963/15/9/014 ◽

2006 ◽

Vol 15 (9) ◽

pp. 1981-1986 ◽

Cited By ~ 9

Author(s):

Zhang Xiao-Yan ◽

Yang Chuan-Lu ◽

Gao Feng ◽

Ren Ting-Qi

Keyword(s):

Potential Energy ◽

Metastable States ◽

Potential Energy Curves ◽

Energy Functions ◽

Analytical Potential

Intermolecular potential energy functions from gaseous viscosity data. Choice of the well depth

Molecular Physics ◽

10.1080/00268977500100871 ◽

1975 ◽

Vol 29 (4) ◽

pp. 1035-1038 ◽

Cited By ~ 14

Author(s):

Paulette Clancy ◽

Maurice Rigby

Keyword(s):

Potential Energy ◽

Intermolecular Potential ◽

Viscosity Data ◽

Energy Functions ◽

Well Depth

Reconstructing potential energy functions from simulated force-induced unbinding processes

Biophysical Journal ◽

10.1016/s0006-3495(97)78161-x ◽

1997 ◽

Vol 73 (3) ◽

pp. 1281-1287 ◽

Cited By ~ 100

Author(s):

M. Balsera ◽

S. Stepaniants ◽

S. Izrailev ◽

Y. Oono ◽

K. Schulten

Keyword(s):

Potential Energy ◽

Energy Functions ◽

Simulated Force