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Geza Fogarasi

Veröffentlichungen von Geza Fogarasi zu Fogarasi, Geza. ->
weitere Veröffentlichungen von Geza Fogarasi:
The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces (1992)
Effect of nondynamical electron correlation on the geometries of conjugated .pi.-systems (1993)
Theoretical prediction of the vibrational spectrum geometry and scaled quantum mechanical force field for phenylacetylene (1989)
An efficient direct method for geometry optimization of large molecules in internal coordinates (1998)
Theoretical prediction of vibrational spectra. 1. The in-plane force field and vibrational spectra of pyridine (1984)
Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives (1979)
Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene (1983)
A priori results for molecular geometry, scaled quantum mechanical (SQM) force field, and vibrational spectra of pyridazine (1993)
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1
Fogarasi, Geza. The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 21 (1992), p. 8191-8201
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1992
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2
Fogarasi, Geza. Effect of nondynamical electron correlation on the geometries of conjugated .pi.-systems
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 16 (1993), p. 4036-4043
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1993
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3
Csaszar, Attila G.. Theoretical prediction of the vibrational spectrum geometry and scaled quantum mechanical force field for phenylacetylene
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 93, No. 22 (1989), p. 7644-7651
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1989
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4
Paizs, Béla., Fogarasi, Géza., ... An efficient direct method for geometry optimization of large molecules in internal coordinates
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 109, No. 16 (1998), p. 6571-6576
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1998
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5
Pongor, Gabor. Theoretical prediction of vibrational spectra. 1. The in-plane force field and vibrational spectra of pyridine
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 106, No. 10 (1984), p. 2765-2769
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1984
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6
Pulay, Peter. Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 101, No. 10 (1979), p. 2550-2560
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1979
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7
Pulay, Peter. Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein,...
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 24 (1983), p. 7037-7047
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1983
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8
Berces, Attila R.. A priori results for molecular geometry, scaled quantum mechanical (SQM) force field, and vibrational spectra of pyridazine
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 7 (1993), p. 1356-1363
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1993