Two-Dimensional H2O−Cl2and H2O−Br2Potential Surfaces:  An Ab Initio Study of Ground and Valence Excited Electronic States

2008 ◽  
Vol 112 (1) ◽  
pp. 89-96 ◽  
Author(s):  
Ramón Hernández-Lamoneda ◽  
Victor Hugo Uc Rosas ◽  
Margarita I. Bernal Uruchurtu ◽  
Nadine Halberstadt ◽  
Kenneth C. Janda
Keyword(s):  
Ab Initio ◽  
Electronic States ◽  
Two Dimensional ◽  
Ab Initio Study ◽  
Excited Electronic States

scholarly journals Ab Initio Study of Ground-state CS Photodissociation via Highly Excited Electronic States

2019 ◽  
Vol 882 (2) ◽  
pp. 86 ◽  
Author(s):  
Zhongxing Xu ◽  
Nan Luo ◽  
S. R. Federman ◽  
William M. Jackson ◽  
Cheuk-Yiu Ng ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Electronic States ◽  
Ab Initio Study ◽  
Excited Electronic States

scholarly journals An ab initio study of the ground and excited electronic states of the methyl radical

2016 ◽  
Vol 18 (48) ◽  
pp. 33195-33203 ◽  
Author(s):  
A. Zanchet ◽  
L. Bañares ◽  
M. L. Senent ◽  
A. García-Vela
Keyword(s):  
Ab Initio ◽  
Electronic States ◽  
Ab Initio Study ◽  
Methyl Radical ◽  
Excited Electronic States ◽  
Highly Correlated

The ground and some excited electronic states of the methyl radical have been characterized by means of highly correlated ab intio techniques.

scholarly journals AB INITIO STUDY OF THE HIGHLY EXCITED ELECTRONIC STATES OF C2 AND ITS PHOTODISSOCIATION

2021 ◽  
Author(s):  
Zhongxing Xu ◽  
Kyle Crabtree ◽  
Cheuk-Yiu Ng ◽  
William Jackson ◽  
Steven Federman ◽  
...  
Keyword(s):  
Ab Initio ◽  
Electronic States ◽  
Ab Initio Study ◽  
Excited Electronic States

Thermal Transport Property of Novel Two-dimensional Nitride Phosphorus: an ab initio Study

2021 ◽  
pp. 149463
Author(s):  
Bing Lv Calculation ◽  
Xiaona Hu ◽  
Ning Wang ◽  
Jia Song ◽  
Xuefei Liu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Transport Property ◽  
Thermal Transport ◽  
Two Dimensional ◽  
Ab Initio Study ◽  
Thermal Transport Property
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