Ab Initio Study of the Structural, Energetic, Bonding, and IR Spectroscopic Properties of Complexes with Dihydrogen Bonds

2002 ◽  
Vol 106 (40) ◽  
pp. 9325-9330 ◽  
Author(s):  
Ibon Alkorta ◽  
José Elguero ◽  
Otilia Mó ◽  
Manuel Yáñez ◽  
Janet E. Del Bene
Keyword(s):  
Ab Initio ◽  
Spectroscopic Properties ◽  
Ab Initio Study ◽  
Dihydrogen Bonds ◽  
Ir Spectroscopic

Ab initio Study on Spectroscopic Properties of GdF3 and GdCl3

ChemInform ◽  
2004 ◽  
Vol 35 (32) ◽  
Author(s):  
Giuseppe Lanza ◽  
Camilla Minichino
Keyword(s):  
Ab Initio ◽  
Spectroscopic Properties ◽  
Ab Initio Study

Ab initio study of the O4H+ novel species: spectroscopic fingerprints to aid its observation

2015 ◽  
Vol 17 (24) ◽  
pp. 16023-16032 ◽  
Author(s):  
F. George D. Xavier ◽  
Rámon Hernández-Lamoneda
Keyword(s):  
Ab Initio ◽  
Novel Species ◽  
Spectroscopic Properties ◽  
The Novel ◽  
Ab Initio Study

A detailed ab initio characterization of the structural, energetic and spectroscopic properties of the novel O4H+ species is presented.

ChemInform Abstract: Ab initio Study of Some Spectroscopic Properties of PF2H

ChemInform ◽  
2010 ◽  
Vol 23 (1) ◽  
pp. no-no
Author(s):  
B. TANGOUR ◽  
M. B. CAID ◽  
J. C. BARTHELAT
Keyword(s):  
Ab Initio ◽  
Spectroscopic Properties ◽  
Ab Initio Study

Ab initio study of spectroscopic properties of CuAr, CuAr+ and CuAr−

2007 ◽  
Vol 67 (3-4) ◽  
pp. 894-897 ◽  
Author(s):  
Narayan Chandra Bera ◽  
Indranil Bhattacharyya ◽  
Abhijit Kumar Das
Keyword(s):  
Ab Initio ◽  
Spectroscopic Properties ◽  
Ab Initio Study

Ab initio study of spectroscopic properties at anharmonic force fields of LiNH2

2021 ◽  
Vol 27 (2) ◽  
Author(s):  
Shanshan Ma ◽  
Meishan Wang ◽  
Yanli Liu ◽  
Chuanlu Yang ◽  
Lihan Chi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Force Fields ◽  
Spectroscopic Properties ◽  
Ab Initio Study ◽  
Anharmonic Force

Ab initio study of some spectroscopic properties of PF2H

1991 ◽  
Vol 235 (3-4) ◽  
pp. 399-408 ◽  
Author(s):  
B. Tangou ◽  
M. Ben Caid ◽  
J.C. Barthelat
Keyword(s):  
Ab Initio ◽  
Spectroscopic Properties ◽  
Ab Initio Study
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