Results 251 to 260 of about 126,108 (367)

On the additivity of bond dipole moment changes arising from bond distortions

Spectrochimica Acta Part A: Molecular Spectroscopy, 1988
Abstract The concept of bond moments and derivatives in the context of vibrational transition moments has been examined by calculations on methylene fluoride and ethene at the 3–21 G* level and N , N -dimethylformamide at the 3–21 G level.
Yordanka Dimitrova, D. Steele
semanticscholar   +4 more sources

Some of the next articles are maybe not open access.

Related searches:

On the CH bond dipole moment in alkanes

The Journal of Chemical Physics, 1987
The Thomas–Reiche–Kuhn sum rule, within the acceleration gauge for the transition dipole moment, is used to partition the total number of electrons in a molecule and to define atomic populations, which can be related to corresponding experimental estimates of atomic polar tensors from IR intensities.
P. Lazzeretti, R. Zanasi, W. T. Raynes
semanticscholar   +5 more sources

The Dipole Moment of the Carbon-Carbon Bond

Journal of the American Chemical Society, 1958
Anthony J. Petro
semanticscholar   +4 more sources

Bond Angle, Dipole Moment, and Base Strength

The Journal of Chemical Physics, 1954
Julian H. Gibbs
semanticscholar   +4 more sources

Some remarks on the C–H bond dipole moment

The Journal of Chemical Physics, 1986
Le moment dipolaire calcule d'une orbitale de liaison naturelle localisee σ CH , a son extremite negative dirigee vers l'hydrogene, en accord avec les conclusions de Wiberg et ...
A. E. Reed, F. Weinhold
semanticscholar   +3 more sources

Bond length, dipole moment, and harmonic frequency of CO

The Journal of Chemical Physics, 1993
A detailed comparison of some properties of CO is given, at the modified coupled-pair functional, single and double excitation coupled-cluster (CCSD), and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), using a variety of basis sets.
L. Barnes, Bowen Liu, R. Lindh
semanticscholar   +3 more sources

Dipole Moment Derivatives of Free and Hydrogen Bonded O-H Bond of Methanol

Spectroscopy Letters, 1981
Abstract Infrared intensities of fundamental and first overtone bands of O-H stretching mode of methanol are reported in a few hydrogen bonding solvents. From these intensity data the first and second dipole moment derivatives have been computed. It is noticed that the intensity of the fundamental band increases appreciably on hydrogen bonding whereas ...
Surjit Singh, D. Schiöberg, W. Luck
semanticscholar   +3 more sources