Although the method of dipole moments has recently been left somewhat in the shadow of other rapidly developing methods it is still an important tool for structural investigations in organic chemistry. It is used for determination of the type of a chemical bond ( polar or covalent) molecular geometry ( isomerism, valence angles etc.) mutual effects of atoms and groups (mesomeric electron shift, ortho effect, etc.) properties of complexes and so on. It also reflects the electron density distribution in molecule in different states. 1
The dielectric constants and densities of dilute solutions of p-brombenaldehyde, p-tolualdehyde, p-h...
The Thomas–Reiche–Kuhn sum rule, within the acceleration gauge for the transition dipole moment, is ...
Electric dipole moments and harmonic vibrational frequencies are two of the most important molecular...
This thesis is a continuation of a study of molecular moments begun by Joseph T. Fielder. In his pap...
Abstract: We propose here an evaluation of chemically intuitive distributed electrostatic moments us...
IN calculating the dipole moments of polyatomic molecules, it is assumed that the observed moment is...
We report a linear combination of atomic dipole (LCAD) method for calculating the bond dipole moment...
IN calculating the dipole moments of polyatomic molecules, it is assumed that the observed moment is...
Author Institution: Noyes Chemical Laboratory, University of IllinoisAn extremely simple method has ...
Author Institution: Department of Chemistry and Center for Fundamental Materials Research, Michigan ...
Author Institution: Department of Chemistry and Center for Fundamental Materials Research, Michigan ...
Modern nonempirical calculations of the rotation-vibration spectra of small molecules often use a di...
In this paper, we analyze and validate of an alternative proposal for the understanding and interpre...
Basing on the orbitals localization method which provides the most accurate (in a Frobenius norm sen...
The dielectric constants and densities of dilute solutions of p-brombenaldehyde, p-tolualdehyde, p-h...
The dielectric constants and densities of dilute solutions of p-brombenaldehyde, p-tolualdehyde, p-h...
The Thomas–Reiche–Kuhn sum rule, within the acceleration gauge for the transition dipole moment, is ...
Electric dipole moments and harmonic vibrational frequencies are two of the most important molecular...
This thesis is a continuation of a study of molecular moments begun by Joseph T. Fielder. In his pap...
Abstract: We propose here an evaluation of chemically intuitive distributed electrostatic moments us...
IN calculating the dipole moments of polyatomic molecules, it is assumed that the observed moment is...
We report a linear combination of atomic dipole (LCAD) method for calculating the bond dipole moment...
IN calculating the dipole moments of polyatomic molecules, it is assumed that the observed moment is...
Author Institution: Noyes Chemical Laboratory, University of IllinoisAn extremely simple method has ...
Author Institution: Department of Chemistry and Center for Fundamental Materials Research, Michigan ...
Author Institution: Department of Chemistry and Center for Fundamental Materials Research, Michigan ...
Modern nonempirical calculations of the rotation-vibration spectra of small molecules often use a di...
In this paper, we analyze and validate of an alternative proposal for the understanding and interpre...
Basing on the orbitals localization method which provides the most accurate (in a Frobenius norm sen...
The dielectric constants and densities of dilute solutions of p-brombenaldehyde, p-tolualdehyde, p-h...
The dielectric constants and densities of dilute solutions of p-brombenaldehyde, p-tolualdehyde, p-h...
The Thomas–Reiche–Kuhn sum rule, within the acceleration gauge for the transition dipole moment, is ...
Electric dipole moments and harmonic vibrational frequencies are two of the most important molecular...