Electronic states of organic molecules. I. Potential functions for the deformation of methane

1976 ◽  
Vol 98 (5) ◽  
pp. 1212-1218 ◽  
Author(s):  
Kenneth B. Wiberg ◽  
G. Barney Ellison ◽  
John J. Wendoloski
Keyword(s):  
Organic Molecules ◽  
Electronic States ◽  
Potential Functions

Electronic states of organic molecules. 3. Photoelectron spectra of cycloalkenes and methylenecycloalkanes

1976 ◽  
Vol 98 (23) ◽  
pp. 7179-7182 ◽  
Author(s):  
Kenneth B. Wiberg ◽  
G. Barney Ellison ◽  
John J. Wendoloski ◽  
C. R. Brundle ◽  
N. A. Kuebler
Keyword(s):  
Organic Molecules ◽  
Electronic States ◽  
Photoelectron Spectra

scholarly journals Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide

2018 ◽  
Vol 212 ◽  
pp. 191-215 ◽  
Author(s):  
K. Eryn Spinlove ◽  
Gareth W. Richings ◽  
Michael A. Robb ◽  
Graham A. Worth
Keyword(s):  
Quantum Dynamics ◽  
Organic Molecules ◽  
Potential Surface ◽  
Electronic States ◽  
Small Organic Molecules ◽  
Direct Dynamics ◽  
Dynamics Simulations ◽  
Curve Crossing

Fully quantum direct dynamics simulations generate the potential surface manifold for the photo-excited dynamics of small organic molecules.

Electronic states of organic molecules. 2. Vibrational intensities for ethylene

1976 ◽  
Vol 98 (18) ◽  
pp. 5465-5469 ◽  
Author(s):  
Kenneth B. Wiberg ◽  
John J. Wendoloski
Keyword(s):  
Organic Molecules ◽  
Electronic States
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