Tests of INDO/1s and INDOXI/1s methods for the calculation of the static potential for electron scattering by CO

Donald G. Truhlar; Frederic A. Van-Catledge

doi:10.1063/1.433019

Tests of INDO/1s and INDOXI/1s methods for the calculation of the static potential for electron scattering by CO

Donald G. Truhlar, Frederic A. Van-Catledge

Chemistry (Twin Cities)

Research output: Contribution to journal › Letter › peer-review

6 Scopus citations

Abstract

The semiempirical molecular orbital methods are used to calculate the equilibrium, geometry ground-state potential for N₂ and CO. It is demonstrated that the potential thus calculated is useful for electron scattering calculations (AIP).

Original language	English (US)
Pages (from-to)	5536-5538
Number of pages	3
Journal	Journal of Chemical Physics
Volume	65
Issue number	12
DOIs	https://doi.org/10.1063/1.433019
State	Published - Dec 15 1976

Keywords

CARBON MONOXIDE
ELECTRON-MOLECULE COLLISIONS
MOLECULAR ORBITAL METHOD
NITROGEN
POTENTIAL ENERGY

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10.1063/1.433019

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title = "Tests of INDO/1s and INDOXI/1s methods for the calculation of the static potential for electron scattering by CO",

abstract = "The semiempirical molecular orbital methods are used to calculate the equilibrium, geometry ground-state potential for N2 and CO. It is demonstrated that the potential thus calculated is useful for electron scattering calculations (AIP).",

keywords = "CARBON MONOXIDE, ELECTRON-MOLECULE COLLISIONS, MOLECULAR ORBITAL METHOD, NITROGEN, POTENTIAL ENERGY",

author = "Truhlar, {Donald G.} and Van-Catledge, {Frederic A.}",

year = "1976",

month = dec,

day = "15",

doi = "10.1063/1.433019",

language = "English (US)",

volume = "65",

pages = "5536--5538",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

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T1 - Tests of INDO/1s and INDOXI/1s methods for the calculation of the static potential for electron scattering by CO

AU - Truhlar, Donald G.

AU - Van-Catledge, Frederic A.

PY - 1976/12/15

Y1 - 1976/12/15

N2 - The semiempirical molecular orbital methods are used to calculate the equilibrium, geometry ground-state potential for N2 and CO. It is demonstrated that the potential thus calculated is useful for electron scattering calculations (AIP).

AB - The semiempirical molecular orbital methods are used to calculate the equilibrium, geometry ground-state potential for N2 and CO. It is demonstrated that the potential thus calculated is useful for electron scattering calculations (AIP).

KW - CARBON MONOXIDE

KW - ELECTRON-MOLECULE COLLISIONS

KW - MOLECULAR ORBITAL METHOD

KW - NITROGEN

KW - POTENTIAL ENERGY

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DO - 10.1063/1.433019

M3 - Letter

AN - SCOPUS:36749107653

SN - 0021-9606

VL - 65

SP - 5536

EP - 5538

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 12

ER -

Tests of INDO/1s and INDOXI/1s methods for the calculation of the static potential for electron scattering by CO

Abstract

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