Millimeter-wave spectroscopy of the internal-rotation band of the He–HCN complex and the intermolecular potential energy surface

2002 ◽  
Vol 117 (15) ◽  
pp. 7041-7050 ◽  
Author(s):  
Kensuke Harada ◽  
Keiichi Tanaka ◽  
Takehiko Tanaka ◽  
Shinkoh Nanbu ◽  
Mutsumi Aoyagi
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Internal Rotation ◽  
Millimeter Wave ◽  
Energy Surface ◽  
Intermolecular Potential ◽  
Rotation Band ◽  
Millimeter Wave Spectroscopy

Thep-Difluorobenzene−Argon S1Excited State Intermolecular Potential Energy Surface

2006 ◽  
Vol 110 (49) ◽  
pp. 13259-13263 ◽  
Author(s):  
José Luis Cagide Fajín ◽  
Berta Fernández ◽  
Peter M. Felker
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Intermolecular Potential

Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes

2019 ◽  
Vol 21 (21) ◽  
pp. 11395-11404
Author(s):  
Abel Carreras ◽  
Luca Fuligni ◽  
Pere Alemany ◽  
Miquel Llunell ◽  
Josep Maria Bofill ◽  
...  
Keyword(s):  
Potential Energy ◽  
Conformational Analysis ◽  
Potential Energy Surface ◽  
Internal Rotation ◽  
Energy Surface ◽  
Computational Study ◽  
Reaction Coordinate

We present a computational study of a reduced potential energy surface (PES) to describe enantiomerization and internal rotation in three triptycyl-n-helicene molecules, centering the discussion on the issue of a proper reaction coordinate choice.

scholarly journals Rotationally inelastic scattering of ND3with H2as a probe of the intermolecular potential energy surface

2015 ◽  
Vol 113 (24) ◽  
pp. 3925-3933 ◽  
Author(s):  
Ondřej Tkáč ◽  
Ashim K. Saha ◽  
Jérôme Loreau ◽  
Qianli Ma ◽  
Paul J. Dagdigian ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Inelastic Scattering ◽  
Energy Surface ◽  
Intermolecular Potential ◽  
Rotationally Inelastic Scattering
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