Journal ArticleDOI
A simplified representation of intermolecular potential energy
Geoffrey C. Maitland,E.B. Smith +1 more
TLDR
In this article, a new simple function which is capable of representing the intermolecular pair potential energy of the inert gases is proposed, based on the traditional n -6 reciprocal power potential with the modification that n is regarded as a function of separation rather than as a constant.About:
This article is published in Chemical Physics Letters.The article was published on 1973-10-15. It has received 151 citations till now. The article focuses on the topics: Pair potential & Effective potential.read more
Citations
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A comparison of the CHARMM, AMBER and ECEPP potentials for peptides. II. Phi-psi maps for N-acetyl alanine N'-methyl amide: comparisons, contrasts and simple experimental tests.
TL;DR: Two phi-psi maps of N-acetyl alanine N'-methyl amide have been computed using the CHARMM potential, the all-atom AMBER potential, and the ECEPP/2 potential, before and after adiabatic relaxation.
Journal ArticleDOI
The intermolecular potential of Ne–HCl: Determination from high‐resolution spectroscopy
TL;DR: In this paper, a new intermolecular potential for Ne-HCl with HCl in its v=1 state was obtained by least squares fitting to molecular-beam near-infrared laser spectra of the Ne−HCl and Ne-DCl van der Waals complexes.
Journal ArticleDOI
Vacuum ultraviolet absorption spectrum of the van der Waals molecule Xe2. I. Ground state vibrational structure, potential well depth, and shape
TL;DR: In this paper, the ground state vibrational spacings of the van der Waals molecule Xe2 have been extracted from the vibronic structure of two electronic transitions, and an extrapolation procedure based on an assumed inverse sixth power long-range potential reveals that the ground electronic state supports 25 or 26 bound vibrational levels.
Journal ArticleDOI
XC and HFD-B potential energy curves for Xe-Xe and related physical properties
TL;DR: In this paper, the XC potential model (XC-1) does not lead to an optimal potential for the Xe-Xe interaction, but two variants, XC2 and XC-3, do lead to optimal interaction energies for this interaction as a function of the interatomic distance R.
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The intermolecular potential energy surface of Ar · HC1
Jeremy M. Hutson,Brian J. Howard +1 more
TL;DR: Anisotropic potential energy surfaces for Ar · HC1 were obtained by simultaneous least squares fitting to molecular beam spectra, rotational line broadening cross sections, second virial coefficients and molecular beam total differential cross sections as discussed by the authors.
References
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Journal ArticleDOI
Liquid argon: Monte carlo and molecular dynamics calculations
TL;DR: In this paper, the Axilrod-Teller three-body interaction was used to calculate the pair-potential functions of solid and gaseous argon and liquid argon.
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Intermolecular Potentials from Crossed-Beam Differential Elastic Scattering Measurements. IV. Ar+Ar
TL;DR: In this article, high-resolution low-energy elastic differential cross sections have been measured for Ar-Ar over a wide angular range and Rainbow structure as well as symmetry oscillations at wide angels were resolved.
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Improved Error Bounds for the Long-Range Forces between Atoms
George Starkschall,Roy G. Gordon +1 more
TL;DR: In this paper, error bounds for the long-range attractive potential between pairs of atoms and molecules have been calculated by constructing oscillator strength distributions which reproduce known dynamic polarizabilities, oscillator strengths, and photoionization cross sections.
Journal ArticleDOI
Intermolecular Potentials from Crossed Beam Differential Elastic Scattering Measurements. III. He+He and Ne+Ne
TL;DR: In this article, high-resolution differential cross sections for elastic scattering extending to wide scattering angles for He-He and Ne-Ne have been measured at two collision energies in the thermal range.