Vibrational spectra of 1,1,3,3-tetramethyl-2-nitroguanidine and their interpretation with the use of scaling of quantum-chemical force field

2008 ◽  
Vol 57 (3) ◽  
pp. 499-505 ◽  
Author(s):  
L. S. Khaikin ◽  
O. E. Grikina ◽  
B. V. Lokshin ◽  
K. P. Dyugaev ◽  
A. M. Astakhov
Keyword(s):  
Force Field ◽  
Vibrational Spectra ◽  
Quantum Chemical ◽  
Chemical Force

scholarly journals The lowest triplet state of 1,3,5‐hexatrienes: Quantum chemical force field calculations and experimental resonance Raman spectra

1989 ◽  
Vol 90 (11) ◽  
pp. 5944-5963 ◽  
Author(s):  
Fabrizia Negri ◽  
Giorgio Orlandi ◽  
Albert M. Brouwer ◽  
Frans W. Langkilde ◽  
Robert Wilbrandt
Keyword(s):  
Force Field ◽  
Triplet State ◽  
Raman Spectra ◽  
Quantum Chemical ◽  
Resonance Raman ◽  
Force Field Calculations ◽  
Resonance Raman Spectra ◽  
Chemical Force

Vibrational spectra of stannane: Harmonic force field, Raman and IR intensities from ab initio correlated wavefunctions

1989 ◽  
Vol 130 (1-3) ◽  
pp. 451-456 ◽  
Author(s):  
Javier Fernandez Sanz ◽  
Antonio Marquez ◽  
Claude Pouchan
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Harmonic Force ◽  
Ir Intensities

Schwingungsspektren und Kraftkonstanten der Hexacyano-Komplexe des Mangan(I), Technetium(I) und Rhenium(I) / Vibrational Spectra and Force Constants of the Hexacyano Complexes of Mangan(l), Technicium(I) and Rhenium(l)

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1193-1196 ◽  
Author(s):  
W. Krasser ◽  
K. Schwochau
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Point Group ◽  
Force Constants ◽  
Irreducible Representations ◽  
Infrared And Raman Spectra ◽  
Valence Force ◽  
Valence Force Field ◽  
Complex Salts

The infrared and Raman spectra of the complex salts K5[Mn(CN)6], K5[Tc(CN)6] and K5[Re(CN)s] have been recorded in the range from 4000 to 40 cm-1. All expected fundamental vibrations have been observed and could be assigned to the irreducible representations of the sym­metry point group Oh . The calculation of the force constants is based on the concept of the generalized valence force field. The low CN-valence force constants indicate the relatively strong Π-bonding character of the metal carbon bond, which is especially pronounced for K5[Tc(CN)6).

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