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Harry Partridge

Veröffentlichungen von Harry Partridge zu Partridge, Harry. ->
weitere Veröffentlichungen von Harry Partridge:
Near Hartree–Fock quality GTO basis sets for the second-row atoms (1987)
Near Hartree–Fock quality GTO basis sets for the first- and third-row atoms (1989)
Theoretical Study of the Low-Lying States of TiHe+, TiNe+, TiAr+, VAr+, CrHe+, CrAr+, FeHe+, FeAr+, CoHe+, and CoAr+ (1994)
Calculation of magnesium(1+)-ligand relative binding energies (1992)
Theoretical study of metal ions bound to helium, neon, and argon (1992)
Heat of Formation of CH2OH (1994)
The bonding of multiple ligands to magnesium(+) and aluminum(+) (1991)
A determination of magnesium(1+)-ligand binding energies (1991)
Theoretical determination of the ground state of nitrogen molecule dication (N22+) (1987)
High-quality Gaussian basis sets for fourth-row atoms (1992)
The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data (1997)
Do bond functions help for the calculation of accurate bond energies? (1998)
A comparison of ZnO and ZnO− (1998)
Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities (2000)
Potential energy curves and transport properties for the interaction of He with other ground-state atoms (2001)
Veröffentlichungen zu Partridge, Harry.
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1
Partridge, Harry Near Hartree–Fock quality GTO basis sets for the second-row atoms
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 87, No. 11 (1987), p. 6643-6647
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1987
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2
Partridge, Harry Near Hartree–Fock quality GTO basis sets for the first- and third-row atoms
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 90, No. 2 (1989), p. 1043-1047
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1989
Energy-optimized, near Hartree–Fock quality GTO basis sets are reported for the first-row (Li to Ne) and third-row (K to Kr) atoms. The most accurate basis sets reported for the first row are (18s13p) sets which are within 4 μEH of the numerical Hartree–Fock (NHF) results. For B to Ne basis... mehr
1. Verfasser: Partridge, Harry
Erschienen: 1989.
Serie: AIP Digital Archive [Dig. Serial]
Schlagwörter:
URL: http://dx.doi.org/10.1063/1.456157
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3
Partridge, Harry. Theoretical Study of the Low-Lying States of TiHe+, TiNe+, TiAr+, VAr+, CrHe+, CrAr+, FeHe+, FeAr+, CoHe+, and CoAr+
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 9 (1994), p. 2301-2306
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1994
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4
Partridge, Harry. Calculation of magnesium(1+)-ligand relative binding energies
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 22 (1992), p. 8827-8832
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1992
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5
Partridge, Harry. Theoretical study of metal ions bound to helium, neon, and argon
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 13 (1992), p. 5350-5355
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1992
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6
Bauschlicher, Charles W.. Heat of Formation of CH2OH
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 7 (1994), p. 1826-1829
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1994
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7
Bauschlicher, Charles W.. The bonding of multiple ligands to magnesium(+) and aluminum(+)
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 24 (1991), p. 9694-9698
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1991
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8
Bauschlicher, Charles W.. A determination of magnesium(1+)-ligand binding energies
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 10 (1991), p. 3946-3950
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1991
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9
Taylor, Peter R.. Theoretical determination of the ground state of nitrogen molecule dication (N22+)
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 91, No. 24 (1987), p. 6148-6151
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1987
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10
Partridge, Harry, Faegri, Knut High-quality Gaussian basis sets for fourth-row atoms
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 82 (3/4. 1992), p. 207-212
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1992
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11
Partridge, Harry., Schwenke, David W.. The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 106, No. 11 (1997), p. 4618-4639
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1997
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12
Bauschlicher, Charles W.., Partridge, Harry. Do bond functions help for the calculation of accurate bond energies?
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 109, No. 12 (1998), p. 4707-4712
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1998
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13
Bauschlicher, Charles W.., Partridge, Harry. A comparison of ZnO and ZnO−
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 109, No. 19 (1998), p. 8430-8434
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1998
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14
Schwenke, David W.., Partridge, Harry. Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 113, No. 16 (2000), p. 6592-6597
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2000
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15
Partridge, Harry., Stallcop, James R.. Potential energy curves and transport properties for the interaction of He with other ground-state atoms
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 115, No. 14 (2001), p. 6471-6488
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2001
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16
Partridge, Harry., Bauschlicher, Charles W.. Chemisorption of O and H on an Al13 cluster
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 84, No. 11 (1986), p. 6507-6510
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1986
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17
Bauschlicher, Charles W.., Partridge, Harry. How large is the effect of 1s correlation on the De, ωe, and re of N2?
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 100, No. 6 (1994), p. 4329-4335
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1994
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18
Partridge, Harry., Bauschlicher, Charles W.. The dissociation energies of CH4 and C2H2 revisited
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 103, No. 24 (1995), p. 10589-10596
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1995
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19
Bauschlicher, Charles W.., Partridge, Harry. A modification of the Gaussian-2 approach using density functional theory
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 103, No. 5 (1995), p. 1788-1791
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1995
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20
Bauschlicher, Charles W.., Partridge, Harry. Erratum: A modification of the Gaussian-2 approach using density functional theory [J. Chem. Phys. 103, 1788 (1995)]
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 105, No. 10 (1996), p. 4398-4398
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1996