Ab-initio SCF Investigation of Glycolic Acid

Michaela Flock; Michael Ramek

Ab-initio SCF Investigation of Glycolic Acid

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

Abstract

The potential energy surface of glycolic acid was investigated using ub-initio 4-3 IG KF calculations. Geometries, energies, and wavenumbers for all Seven symmetry-unique local minima are reported together with all reaction paths and their energetical bamers.

Original language	English
Pages (from-to)	505-515
Journal	International Journal of Quantum Chemistry
Volume	26
Publication status	Published - 1992

Fields of Expertise

Sonstiges

Quantum Chemistry: Intramolecular Hydrogen Bonds
Kelterer, A., Ramek, M. & Flock, M.
1/01/95 → 31/12/98
Project: Research project

Cite this

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title = "Ab-initio SCF Investigation of Glycolic Acid",

abstract = "The potential energy surface of glycolic acid was investigated using ub-initio 4-3 IG KF calculations. Geometries, energies, and wavenumbers for all Seven symmetry-unique local minima are reported together with all reaction paths and their energetical bamers.",

author = "Michaela Flock and Michael Ramek",

year = "1992",

language = "English",

volume = "26",

pages = "505--515",

journal = "International Journal of Quantum Chemistry",

issn = "1097-461X",

publisher = "John Wiley and Sons Inc.",

}

TY - JOUR

T1 - Ab-initio SCF Investigation of Glycolic Acid

AU - Flock, Michaela

AU - Ramek, Michael

PY - 1992

Y1 - 1992

N2 - The potential energy surface of glycolic acid was investigated using ub-initio 4-3 IG KF calculations. Geometries, energies, and wavenumbers for all Seven symmetry-unique local minima are reported together with all reaction paths and their energetical bamers.

AB - The potential energy surface of glycolic acid was investigated using ub-initio 4-3 IG KF calculations. Geometries, energies, and wavenumbers for all Seven symmetry-unique local minima are reported together with all reaction paths and their energetical bamers.

M3 - Article

SN - 1097-461X

VL - 26

SP - 505

EP - 515

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

ER -

Ab-initio SCF Investigation of Glycolic Acid

Abstract

Fields of Expertise

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Projects

Quantum Chemistry: Intramolecular Hydrogen Bonds

Cite this