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Molecular Physics
Title
Publication Date
Language
Citations
Rotational spectrum, internal rotation barrier and structure of 3,3,3-trifluoropropene
1997/07/01
English
Critical phenomena in rotational spectra of an asymmetric triatomic molecule
1997/06/10
Dynamic disorder in 2,3-dimethylnaphthalene: a single crystal deuteron nuclear magnetic resonance study
1998/12/15
The influence of the heteronuclear dipolar interaction on nuclear magnetic resonance spectra of quadrupolar nuclei
1998/12/15
Quantum description of five-particle systems in principal-axis hyperspherical coordinates
2000/03/20
ERRATUM The structure of pure tertiary butanol
1998/06/01
English
An ordered structure for binary mixtures of rare gas atoms from numerical simulation
1996/10/01
English
High-resolution FTIR spectroscopy of the ν 11 and ν 2 + ν 7 bands of ethylene-d 4
2000/05/10
Comment
2002/01/10
English
Millimetre wave and diode laser spectroscopy of IC15N: anharmonic force field of cyanogen iodide from spectroscopic data andab initiocalculations
1998/01/01
English
A new classical method for dynamical calculation in molecular systems
1997/03/01
English
The reactions of Cl+(3P) and Cl+(1D) with hydrogen sulphide. A G2 molecular orbital study
1999/01/20
Quantum cluster equilibrium theory of liquids: molecular clusters and thermodynamics of liquid ethanol
1999/08/20
INVITED PAPER Samuel Francis Boys 1911-1972
1996/05/01
English
Monte Carlo simulation of a hard-sphere gas in the planar Fourier flow with a gravity field
2000/02/20
Degeneracy splitting of the nu4 mode of CH4 adsorbed in NaA. Comparison with the splitting of nu3
1999/03/20
Singular value decomposition of energy matrices in theoretical atomic structure calculations
2000/08/01
English
High resolution infrared study of the parallel band nu3 of chloroform CH35Cl
1999/05/20
Rotational relaxation time in CO free jets
2000/03/20
The intermolecular potential of NH 4 + -Ar I. Calculations for the internal rotor structure of the nu 3 band
2000/01/20
RESEARCH NOTE Analytical model for thermodynamic properties of an adhesive hard sphere Yukawa fluid
1999/02/10
Rotational dynamics and velocity segregation in plastic KClO4 : a molecular dynamics simulation
1998/04/01
English
Identification of lomustine drug by graphyne-like boron nitride: DFT approach
2024/02/17
English
Theoretical exploration of the spin-orbit coupled potential energy surface of the Mg + –He molecular ion
2024/02/17
English
The potential energy surface and superatomic properties of the octahedral PtSn 5 cluster
2024/02/17
English
The thermal diffusion factor of Ar-CO 2 mixtures: new measurements and comparison with quantum calculations
1999/10/20
Symmetrized rovibrational local states for triply degenerate modes of spherical molecules: application to intensity calculations in the upsilon3 ladder
1998/04/01
English
The concentration dependence of the proton chemical shift and the deuterium quadrupole coupling parameter for binary solutions of ethanol
2000/06/10
ERRATUM A simple method to calculate dispersion coefficients for isolated and condensed-phase species
1999/03/20
The rotational spectrum of 2-indanone
1999/10/20
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