Matrix isolation IR spectroscopy, photochemistry, and ab initio calculations of the difluoromethene-ozone complex

1993 ◽  
Vol 97 (15) ◽  
pp. 3690-3696 ◽  
Author(s):  
Steven R. Davis ◽  
Li Liu
Keyword(s):  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Matrix Isolation

Vibrational Spectra and Structure of CH3Cl:H2O, CH3Cl:HDO, and CH3Cl:D2O Complexes. IR Matrix Isolation and ab initio Calculations

2005 ◽  
Vol 109 (45) ◽  
pp. 10273-10279 ◽  
Author(s):  
Nadia Dozova ◽  
Lahouari Krim ◽  
M. Esmaïl Alikhani ◽  
Nelly Lacome
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Matrix Isolation

IR spectroscopy of crystalline polymers from ab initio calculations: Nylon 6,6

2013 ◽  
Vol 66 ◽  
pp. 83-92 ◽  
Author(s):  
Daria Galimberti ◽  
Claudio Quarti ◽  
Alberto Milani ◽  
Luigi Brambilla ◽  
Bartolomeo Civalleri ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Crystalline Polymers ◽  
Nylon 6,6

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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