Ab initio potential energy surfaces for studying conformational changes and organic reactions

Research output: Article

6 Citations (Scopus)

Abstract

Conformational potential-energy surfaces are discussed as prototypes for unimolecular or pseudo-bimolecular organic reaction potential energy surfaces.

Original languageEnglish
Pages (from-to)1-11
Number of pages11
JournalJournal of Molecular Structure: THEOCHEM
Volume138
Issue number1-2
DOIs
Publication statusPublished - 1986

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Potential energy surfaces
potential energy
prototypes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Computational Theory and Mathematics
  • Atomic and Molecular Physics, and Optics

Cite this

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title = "Ab initio potential energy surfaces for studying conformational changes and organic reactions",
abstract = "Conformational potential-energy surfaces are discussed as prototypes for unimolecular or pseudo-bimolecular organic reaction potential energy surfaces.",
author = "I. Csizmadia",
year = "1986",
doi = "10.1016/0166-1280(86)87002-6",
language = "English",
volume = "138",
pages = "1--11",
journal = "Computational and Theoretical Chemistry",
issn = "2210-271X",
publisher = "Elsevier BV",
number = "1-2",

}

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T1 - Ab initio potential energy surfaces for studying conformational changes and organic reactions

AU - Csizmadia, I.

PY - 1986

Y1 - 1986

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AB - Conformational potential-energy surfaces are discussed as prototypes for unimolecular or pseudo-bimolecular organic reaction potential energy surfaces.

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U2 - 10.1016/0166-1280(86)87002-6

DO - 10.1016/0166-1280(86)87002-6

M3 - Article

AN - SCOPUS:46149129994

VL - 138

SP - 1

EP - 11

JO - Computational and Theoretical Chemistry

JF - Computational and Theoretical Chemistry

SN - 2210-271X

IS - 1-2

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