PM3, AM1, MNDO and MINDO3 semi-empirical IR spectra simulations for compounds of interest for Titan's chemistry: diazomethane, methyl azide, methyl isocyanide, diacetylene and triacetylene

2001 ◽  
Vol 57 (3) ◽  
pp. 505-511 ◽  
Author(s):  
V.A. Basiuk ◽  
R. Navarro-González ◽  
Y. Benilan ◽  
F. Raulin
Keyword(s):  
Ir Spectra ◽  
Methyl Isocyanide ◽  
Semi Empirical

Comparative study on the vibrational IR spectra of cytosine and thiocytosine by various semi-empirical quantum mechanical methods

1997 ◽  
Vol 264 (1-2) ◽  
pp. 92-100 ◽  
Author(s):  
V. Subramanian ◽  
K. Chitra ◽  
K. Venkatesh ◽  
S. Sanker ◽  
T. Ramasami
Keyword(s):  
Comparative Study ◽  
Ir Spectra ◽  
Quantum Mechanical ◽  
Mechanical Methods ◽  
Semi Empirical

Semi-empirical evaluation of Sr-Ar difference potentials

1986 ◽  
Vol 47 (7) ◽  
pp. 1149-1154
Author(s):  
Le Quang Rang ◽  
D. Voslamber
Keyword(s):  
Empirical Evaluation ◽  
Difference Potentials ◽  
Semi Empirical
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