Potential energy surface for unimolecular dissociation and rearrangement reactions of the ground electronic state of HFCO

1991 ◽  
Vol 94 (11) ◽  
pp. 7287-7298 ◽  
Author(s):  
Kenshu Kamiya ◽  
Keiji Morokuma
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Electronic State ◽  
Energy Surface ◽  
Ground Electronic State ◽  
Unimolecular Dissociation ◽  
Rearrangement Reactions

Ab initio properties and potential energy surface of the ground electronic state of BeHe2+

2006 ◽  
Vol 429 (1-3) ◽  
pp. 335-340 ◽  
Author(s):  
Alister J. Page ◽  
David J.D. Wilson ◽  
Ellak I. von Nagy-Felsobuki
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Electronic State ◽  
Energy Surface ◽  
Ground Electronic State

Potential energy surface and ro-vibrational energies of Ne+3in the ground electronic state

2002 ◽  
Vol 90 (3) ◽  
pp. 1232-1239 ◽  
Author(s):  
Milan Šindelka ◽  
Vladimír Špirko ◽  
Jan Urban ◽  
Pavel Mach ◽  
Jerzy Leszczynski
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Electronic State ◽  
Energy Surface ◽  
Ground Electronic State ◽  
Vibrational Energies

A new potential energy surface for the ground electronic state of the LiH2 system, and dynamics studies on the H(2S) + LiH(X1Σ+) → Li(2S) + H2(X1Σg+) reaction

2015 ◽  
Vol 17 (17) ◽  
pp. 11732-11739 ◽  
Author(s):  
Jiuchuang Yuan ◽  
Di He ◽  
Maodu Chen
Keyword(s):  
Neural Network ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Electronic State ◽  
Energy Surface ◽  
Ground Electronic State ◽  
Neural Network Method ◽  
Network Method ◽  
High Level

A new potential energy surface of the LiH2 system is obtained using a neural network method based on high-level energies.

Connection between the Upper and Lower Energy Regions of the Potential Energy Surface of the Ground Electronic State of the HSO2 System

2012 ◽  
Vol 116 (29) ◽  
pp. 7677-7685 ◽  
Author(s):  
Gabriel N. Freitas ◽  
Juan D. Garrido ◽  
Maikel Y. Ballester ◽  
Marco Antonio Chaer Nascimento
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Electronic State ◽  
Lower Energy ◽  
Energy Surface ◽  
Ground Electronic State
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