Vibronic and electronic states of doubly charged H2S studied by Auger and charge transfer spectroscopy and by ab initio calculations

1990 ◽  
Vol 93 (2) ◽  
pp. 918-931 ◽  
Author(s):  
A. Cesar ◽  
H. Ågren ◽  
A. Naves de Brito ◽  
S. Svensson ◽  
L. Karlsson ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic States ◽  
Doubly Charged

Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis

2019 ◽  
Vol 21 (14) ◽  
pp. 7330-7340 ◽  
Author(s):  
Francesca Nunzi ◽  
Diego Cesario ◽  
Leonardo Belpassi ◽  
Francesco Tarantelli ◽  
Luiz F. Roncaratti ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Molecular Beam ◽  
Halogen Bond ◽  
Noble Gas ◽  
Molecular Beam Scattering ◽  
Beam Scattering ◽  
Charge Displacement ◽  
Insight Into

A weak halogen bond, together with charge transfer from a noble gas to Cl2, characterizes the intermolecular interaction between a noble gas atom and Cl2 in a collinear configuration.

Ab initio calculations on the electronic states of GaAr and GaAr+

1997 ◽  
Vol 107 (7) ◽  
pp. 2481-2487 ◽  
Author(s):  
Su Jin Park ◽  
Myeong Cheol Kim ◽  
Yoon Sup Lee ◽  
Gwang-Hi Jeung
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic States

Ultrafast Charge Transfer Studied by Femtosecond IR-Spectroscopy and ab Initio Calculations

2000 ◽  
Vol 47 (4A) ◽  
pp. 721-728 ◽  
Author(s):  
Andreas Kummrow ◽  
Jens Dreyer ◽  
Christian Chudoba ◽  
Jens Stenger ◽  
Erik Theodorus ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Ultrafast Charge Transfer
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