intermolecular interaction potential Latest Research Papers

One of the energy-minimum structures predicted by the intermolecular interaction potential energy surface computed using the M062x/6-31G** method closely resembled the crystal packing.

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Optimization of Intermolecular Interaction Potential Energy Parameters for Monte-Carlo and Molecular Dynamics Simulations

Large-Scale Scientific Computing - Lecture Notes in Computer Science ◽

10.1007/978-3-642-29843-1_52 ◽

2012 ◽

pp. 464-471

Author(s):

Dragan Sahpaski ◽

Ljupčo Pejov ◽

Anastas Misev

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Potential Energy ◽

Molecular Dynamics Simulations ◽

Intermolecular Interaction ◽

Interaction Potential ◽

Energy Parameters ◽

Intermolecular Interaction Potential ◽

Interaction Potential Energy ◽

Dynamics Simulations

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Application of perturbation theory to a mixture of hydrogen atoms and molecules with the Morse intermolecular interaction potential

Russian Physics Journal ◽

10.1007/s11182-010-9411-4 ◽

2010 ◽

Vol 53 (3) ◽

pp. 243-256 ◽

Cited By ~ 3

Author(s):

Yu. A. Bogdanova ◽

S. A. Gubin ◽

S. B. Viktorov ◽

V. A. Shargatov ◽

A. V. Lyubimov

Keyword(s):

Perturbation Theory ◽

Intermolecular Interaction ◽

Interaction Potential ◽

Hydrogen Atoms ◽

Atoms And Molecules ◽

Intermolecular Interaction Potential

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intermolecular interaction potential
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H-INDEX

The influence of type of the intermolecular interaction potential on transport properties of helium

Symmetry-adapted perturbation theory potential for the adenine dimer

A Refined Intermolecular Interaction Potential for Methane: Spectral Analysis and Molecular Dynamics Simulations

Application of a theoretical equation-of-state model for calculating the thermodynamic parameters of NH3-H2 binary mixtures based on a modified Exp-6 intermolecular interaction potential

Pressure Effects on the Intermolecular Interaction Potential of Condensed Protein Solutions

On the vibrational dependence of the quantum intermolecular interaction potential

On the ambiguity of the intermolecular interaction potential determined from spectroscopic data

Theoretical study on molecular packing and electronic structure of bi-1,3,4-oxadiazole derivatives

Optimization of Intermolecular Interaction Potential Energy Parameters for Monte-Carlo and Molecular Dynamics Simulations

Application of perturbation theory to a mixture of hydrogen atoms and molecules with the Morse intermolecular interaction potential

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intermolecular interaction potentialRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

The influence of type of the intermolecular interaction potential on transport properties of helium

Symmetry-adapted perturbation theory potential for the adenine dimer

A Refined Intermolecular Interaction Potential for Methane: Spectral Analysis and Molecular Dynamics Simulations

Application of a theoretical equation-of-state model for calculating the thermodynamic parameters of NH3-H2 binary mixtures based on a modified Exp-6 intermolecular interaction potential

Pressure Effects on the Intermolecular Interaction Potential of Condensed Protein Solutions

On the vibrational dependence of the quantum intermolecular interaction potential

On the ambiguity of the intermolecular interaction potential determined from spectroscopic data

Theoretical study on molecular packing and electronic structure of bi-1,3,4-oxadiazole derivatives

Optimization of Intermolecular Interaction Potential Energy Parameters for Monte-Carlo and Molecular Dynamics Simulations

Application of perturbation theory to a mixture of hydrogen atoms and molecules with the Morse intermolecular interaction potential

intermolecular interaction potential
Recently Published Documents