Molecular Conformation and Potential Energy Surface Topology

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_6 ◽

1986 ◽

pp. 75-83 ◽

Author(s):

I. G. Csizmadia ◽

J. G. Angyan

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Molecular Conformation ◽

Surface Topology

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Multidimensional Theoretical Stereochemistry and Conformational Potential Energy Surface Topology

New Theoretical Concepts for Understanding Organic Reactions ◽

10.1007/978-94-009-2313-3_1 ◽

1989 ◽

pp. 1-31 ◽

Author(s):

I. G. Csizmadia

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Surface Topology

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The package of applied the programs for the studying of the potential energy surface topology corresponding to the conformation dynamics of DNA molecule

Biopolymers and Cell ◽

10.7124/bc.000374 ◽

1993 ◽

Vol 9 (5) ◽

pp. 66-72 ◽

Author(s):

A. I. Egorenkov ◽

V. V. Korol

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Surface Topology ◽

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Photochemical processes: potential energy surface topology and rationalization using VB arguments

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/s1010-6030(01)00453-1 ◽

2001 ◽

Vol 144 (2-3) ◽

pp. 237-243 ◽

Author(s):

Michael A. Robb ◽

Massimo Olivucci

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Surface Topology ◽

Photochemical Processes

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Variation of conformational properties at a glance. True graphical visualization of the Ramachandran surface topology as a periodic potential energy surface

Chemical Physics Letters ◽

10.1016/j.cplett.2012.08.002 ◽

2012 ◽

Vol 547 ◽

pp. 82-88 ◽

Author(s):

Imre Jákli ◽

Svend J. Knak Jensen ◽

Imre G. Csizmadia ◽

András Perczel

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Periodic Potential ◽

Energy Surface ◽

Surface Topology ◽

Graphical Visualization ◽

Conformational Properties

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ChemInform Abstract: Multidimensional Theoretical Stereochemistry and Conformational Potential Energy Surface Topology

10.1002/chin.198947339 ◽

1989 ◽

Vol 20 (47) ◽

Author(s):

I. G. CSIZMADIA

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Surface Topology

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An accurate, global, ab initio potential energy surface for the H + 3 molecule

Molecular Physics ◽

10.1080/002689700162540 ◽

2000 ◽

Vol 98 (5) ◽

pp. 261-273 ◽

Author(s):

Oleg L. Polyansky, Rita Prosmiti, Wim Kl

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

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HIGH-ACCURATE INTERMOLECULAR POTENTIAL ENERGY SURFACE OF HCN−H2 COMPLEX WITH INTRAMOLECULAR VIBRATIONAL MODE OF HCN INCLUDED

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.wa08 ◽

2016 ◽

Author(s):

Yu Zhai ◽

Hui Li

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Vibrational Mode ◽

Intermolecular Potential

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AB INITIO EXPLORATION OF THE POTENTIAL ENERGY SURFACE OF THE O2-SO2 OPEN-SHELL COMPLEX.

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.tk12 ◽

2016 ◽

Author(s):

Wafaa Fawzy ◽

Jon Hougen

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

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THE ORIGINS OF INTRA- AND INTER-MOLECULAR VIBRATIONAL COUPLINGS: A CASE STUDY OF H2O−Ar ON FULL AND REDUCED-DIMENSIONAL POTENTIAL ENERGY SURFACE

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.wf13 ◽

2016 ◽

Author(s):

Hui Li ◽

Xiao-Long Zhang ◽

Yong-Tao Ma ◽

Dan Hou

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

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HIGH ACCURACY POTENTIAL ENERGY SURFACE, DIPOLE MOMENT SURFACE, ROVIBRATIONAL ENERGIES AND LINE LIST CALCULATIONS FOR 14NH3

Proceedings of the 72nd International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2017.tj06 ◽

2017 ◽

Author(s):

Phillip Coles ◽

Jonathan Tennyson ◽

Nikolay Zobov ◽

Roman Ovsyannikov ◽

Aleksandra Kyuberis ◽

...

Keyword(s):

Dipole Moment ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

High Accuracy ◽

Line List ◽

Surface Dipole ◽

Rovibrational Energies

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