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

Rotational Barriers

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 ◽

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

Development of potential energy functions for use in conformational analysis

10.1007/978-94-009-2599-1_4 ◽

1989 ◽

pp. 13-29

Author(s):

Kjeld Rasmussen

Keyword(s):

Potential Energy ◽

Conformational Analysis ◽

Energy Functions ◽

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

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.72.2.543 ◽

1975 ◽

Vol 72 (2) ◽

pp. 543-547 ◽

Cited By ~ 37

Author(s):

L. L. Shipman ◽

A. W. Burgess ◽

H. A. Scheraga

Keyword(s):

Potential Energy ◽

Energy Functions ◽

New Approach ◽

Lecture Notes in Chemistry, Vol. 37 Potential Energy Functions in Conformational Analysis. Von K. Rasmussen; Berlin, Heidelberg, New York, Tokyo, Springer-Verlag 1985; 231 Seiten mit 16 Bildern und 30 Tabellen, Format 16 cm × 24 cm, Broschur 48,- DM

Zeitschrift für Chemie ◽

10.1002/zfch.19860261130 ◽

2010 ◽

Vol 26 (11) ◽

pp. 419-419

Author(s):

Hans-Jörg Hofmann

Keyword(s):

New York ◽

Potential Energy ◽

Conformational Analysis ◽

Energy Functions ◽

Lecture Notes

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

Potential energy functions in conformational analysis, vol. 37, lecture notes in chemistry

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(86)80154-3 ◽

1986 ◽

Vol 136 (3-4) ◽

pp. 395

Author(s):

N.L.O.

Keyword(s):

Potential Energy ◽

Conformational Analysis ◽

Energy Functions ◽

Lecture Notes

The Consistent Force Field: Development of Potential Energy Functions for Conformational Analysis

Recent Experimental and Computational Advances in Molecular Spectroscopy ◽

10.1007/978-94-011-1974-0_22 ◽

1993 ◽

pp. 381-419 ◽

Cited By ~ 7

Author(s):

K. J. Rasmussen ◽

S. B. Engelsen ◽

J. Fabricius ◽

B. Rasmussen

Keyword(s):

Potential Energy ◽

Conformational Analysis ◽

Force Field ◽

Energy Functions ◽

Field Development ◽

Force Field Development ◽

Consistent Force Field

Optimized Potential Energy Functions in Conformational Analysis of Saccharides

ACS Symposium Series - Computer Modeling of Carbohydrate Molecules ◽

10.1021/bk-1990-0430.ch011 ◽

1990 ◽

pp. 177-190 ◽

Cited By ~ 3

Author(s):

Kjeld Rasmussen ◽

Jesper Fabricius

Keyword(s):

Potential Energy ◽

Conformational Analysis ◽

Energy Functions ◽

Potential Energy Functions in Conformational Analysis

10.1007/978-3-642-45591-9 ◽

1985 ◽

Cited By ~ 32

Author(s):

Kjeld Rasmussen

Keyword(s):

Potential Energy ◽

Conformational Analysis ◽

Energy Functions ◽