Add to ORKGThe molecular dynamical simulation of the normal vibrational mode of water which involves H-O-H angle deformation, when driven by an external force, can be used to see how a driven harmonic oscillator, classically, is associated with the infra-red spectrum of water (and the absorption for this particular normal mode)
Several new techniques were developed and applied to investigate various non-trivial aspects of vibr...
We report calculations on high-order harmonic generation in water molecules. Spectra are determined ...
International audienceVibrational relaxation cross sections of the H2O(υ2=1) bending mode by H2 mole...
The molecular dynamical simulation of the normal vibrational mode of water which involves H-O-H angl...
The HCl molecule is simulated (using Maple) in its dynamics, for both vibrational (and implied) rota...
In physics, harmonic motion is among the most representative types of motion. A simple harmonic osci...
Simulation of the classical molecular dynamics of a water molecule can be useful in explaining norma...
Current simulations of ultraviolet-visible absorption lineshapes and dynamics of condensed phase sys...
Liquid water is a fascinating substance, ubiquitous in chemistry, physics, and biology. Its remarkab...
Molecular dynamics simulations of liquid water using a rigid molecular model provide statistical cha...
Journal ArticleA detailed analysis of the infrared lineshapes corresponding to the intramolecular bo...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 2005.Vita.Includes bibli...
Several quartic force fields and a full sextic anharmonic force field for H,O have been determined f...
Rates of conversions of molecular internal energy to and from kinetic energy by means of molecular c...
A Maple scheme for quickly parameterizing vibrational potential energy functions is presented. As an...
Several new techniques were developed and applied to investigate various non-trivial aspects of vibr...
We report calculations on high-order harmonic generation in water molecules. Spectra are determined ...
International audienceVibrational relaxation cross sections of the H2O(υ2=1) bending mode by H2 mole...
The molecular dynamical simulation of the normal vibrational mode of water which involves H-O-H angl...
The HCl molecule is simulated (using Maple) in its dynamics, for both vibrational (and implied) rota...
In physics, harmonic motion is among the most representative types of motion. A simple harmonic osci...
Simulation of the classical molecular dynamics of a water molecule can be useful in explaining norma...
Current simulations of ultraviolet-visible absorption lineshapes and dynamics of condensed phase sys...
Liquid water is a fascinating substance, ubiquitous in chemistry, physics, and biology. Its remarkab...
Molecular dynamics simulations of liquid water using a rigid molecular model provide statistical cha...
Journal ArticleA detailed analysis of the infrared lineshapes corresponding to the intramolecular bo...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 2005.Vita.Includes bibli...
Several quartic force fields and a full sextic anharmonic force field for H,O have been determined f...
Rates of conversions of molecular internal energy to and from kinetic energy by means of molecular c...
A Maple scheme for quickly parameterizing vibrational potential energy functions is presented. As an...
Several new techniques were developed and applied to investigate various non-trivial aspects of vibr...
We report calculations on high-order harmonic generation in water molecules. Spectra are determined ...
International audienceVibrational relaxation cross sections of the H2O(υ2=1) bending mode by H2 mole...