Critical points of the conformational potential energy surface of carbonic acid: H2CO3

1993 ◽  
Vol 300 ◽  
pp. 637-645 ◽  
Author(s):  
Rudolf Janoschek ◽  
Imre G. Csizmadia
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Critical Points ◽  
Energy Surface ◽  
Carbonic Acid

Complete Set of Critical Points on the C60H+Potential Energy Surface

2009 ◽  
Vol 113 (13) ◽  
pp. 3223-3226 ◽  
Author(s):  
Martin Šala ◽  
Milan Hodošček ◽  
Sundaram Arulmozhiraja ◽  
Toshihiro Fujii
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Critical Points ◽  
Energy Surface ◽  
Complete Set

scholarly journals The Bifurcations of the Critical Points and the Role of Depth in a Symmetric Caldera Potential Energy Surface

2021 ◽  
Vol 31 (11) ◽  
pp. 2130034
Author(s):  
Y. Geng ◽  
M. Katsanikas ◽  
M. Agaoglou ◽  
S. Wiggins
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Critical Points ◽  
Energy Surface ◽  
The Other ◽  
Different Types ◽  
Before And After ◽  
The One ◽  
The Way

In this work, we continue the study of the bifurcations of the critical points in a symmetric Caldera potential energy surface. In particular, we study the influence of the depth of the potential on the trajectory behavior before and after the bifurcation of the critical points. We observe two different types of trajectory behavior: dynamical matching and the nonexistence of dynamical matching. Dynamical matching is a phenomenon that limits the way in which a trajectory can exit the Caldera based solely on how it enters the Caldera. Furthermore, we discuss two different types of symmetric Caldera potential energy surface and the transition from the one type to the other through the bifurcations of the critical points.

DFT critical points of the internal rotation potential energy surface and infrared spectra of the [1H], [2H] 2,5-pyrazinedicarboxamide

2005 ◽  
Vol 714 (1) ◽  
pp. 73-79 ◽  
Author(s):  
Vicente Timón ◽  
Maria Isabel Suero ◽  
Maria J. Martin Delgado ◽  
Vicente Botella ◽  
Alfonso Hernández-Laguna
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Internal Rotation ◽  
Infrared Spectra ◽  
Critical Points ◽  
Energy Surface

Ab initio determination of the critical points of the potential energy surface of the N(3)H and N1, 3H tautomers of histamine monocation

1995 ◽  
Vol 335 (1-3) ◽  
pp. 77-87 ◽  
Author(s):  
A. Hernández-Laguna ◽  
Z. Cruz-Rodriguez ◽  
Y.G. Smeyers ◽  
G.A. Arteca ◽  
J.-L.M. Abboud ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Critical Points ◽  
Energy Surface
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