Theoretical investigation of the ethylene dimer: Interaction energy and dipole moment

2011 ◽  
Vol 33 (3) ◽  
pp. 319-330 ◽  
Author(s):  
Yulia N. Kalugina ◽  
Victor N. Cherepanov ◽  
Mikhail A. Buldakov ◽  
Natalia Zvereva-Loëte ◽  
Vincent Boudon
Keyword(s):  
Dipole Moment ◽  
Interaction Energy ◽  
Theoretical Investigation ◽  
Ethylene Dimer

Theoretical investigation of the interaction energy in the Li++H2O ionic complex

1991 ◽  
Vol 70 (4) ◽  
pp. 345-350
Author(s):  
Zs. Ozoróczy ◽  
Cornelia Kozmutza ◽  
E. Kapuy
Keyword(s):  
Interaction Energy ◽  
Theoretical Investigation ◽  
Ionic Complex

scholarly journals Bonding, Structure, and Stability of Clusters: Some Surprising Results from an Experimental and Theoretical Investigation in Gas Phase

2013 ◽  
Vol 2013 ◽  
pp. 1-8 ◽  
Author(s):  
Melissa S. Caetano ◽  
Teodorico C. Ramalho ◽  
Tales G. Vieira ◽  
Arlan da Silva Gonçalves ◽  
Daiana T. Mancini ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Gas Phase ◽  
Charge Distribution ◽  
Theoretical Investigation ◽  
Ground State ◽  
Electrostatic Interactions ◽  
Water Molecules ◽  
Structure And Stability ◽  
Bonding Structure ◽  
Small Dipole

Structure and stability of clusters in the ground state were analyzed at the theoretical and experimental levels. Our experimental and theoretical findings showed that the clusters in gas phase tend to form mainly planar rings of four members. The symmetry and the small dipole moment in these specific configurations suggested that their stability could be associated with an alignment of the water molecules, maximizing attractive electrostatic interactions caused by changes in the charge distribution of the clusters.

Theoretical investigation into dipole-moment functions of HF, HCl, and HBr molecules at small internuclear separations

2006 ◽  
Vol 49 (11) ◽  
pp. 1230-1235 ◽  
Author(s):  
M. A. Buldakov ◽  
E. V. Koryukina ◽  
V. N. Cherepanov ◽  
Yu. N. Kalugina
Keyword(s):  
Dipole Moment ◽  
Theoretical Investigation ◽  
Moment Functions

QUANTUM OPTICS IN NMR SPECTROSCOPY

1992 ◽  
Vol 06 (20) ◽  
pp. 1237-1244 ◽  
Author(s):  
M. W. EVANS
Keyword(s):  
Magnetic Field ◽  
Dipole Moment ◽  
Nmr Spectroscopy ◽  
Frequency Shift ◽  
Interaction Energy ◽  
Upper Bound ◽  
Quantum Field ◽  
Nmr Spectrum ◽  
Classical Counterpart ◽  
Quantum Optical

A circularly polarised laser is shown to produce a static magnetic field, Bπ, in its axis of propagation. The field Bπ is expressed in quantum optical form and is shown to interact with a nuclear dipole moment to produce a real interaction energy which produces a frequency shift in a standard NMR spectrum. The observed shift is two orders of magnitude smaller than that predicted with a classical Bπ. This is explained qualitatively using the fact that the classical Bπ produces an interaction energy which is the upper bound of the energy produced by the quantised [Formula: see text]. The quantum field in NMR appears to behave quite differently, therefore, from its classical counterpart.

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