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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. von Partridge, Harry.[x]
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1
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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2
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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3
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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4
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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5
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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6
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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7
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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8
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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9
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
The interactions of a He atom with a heavier atom are examined for 26 different elements, which are consecutive members selected from three rows (Li–Ne, Na–Ar, and K,Ca, Ga–Kr) and column 12 (Zn, Cd) of the Periodic Table. Interaction energies are determined using high-quality ab initio... mehr
beteiligte Personen: Partridge, Harry. , Stallcop, James R..
Erschienen: 2001.
Serie: AIP Digital Archive [Dig. Serial]
Schlagwörter:
URL: http://dx.doi.org/10.1063/1.1385372
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10
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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11
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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12
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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13
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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14
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
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15
Bauschlicher, Charles W.., Partridge, Harry. Strategies for vectorizing the sparse matrix vector product on the CRAY XMP, CRAY 2, and CYBER 205
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 8 (5. 1987), p. 636-644
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1987
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16
Bauschlicher, Charles W.. Theoretical study of transition-metal ions bound to benzene
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 8 (1992), p. 3273-3278
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1992
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17
Bauschlicher, Charles W.. Theoretical study of chromium(1+) and cobalt(1+) bound to hydrogen and nitrogen
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 6 (1992), p. 2475-2479
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1992
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18
Bauschlicher, Charles W.. Theoretical study of the bonding of niobium(2+) to methylene, acetylene, and ethylene
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 16 (1991), p. 6191-6194
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1991
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19
Bauschlicher, Charles W.. Comments on "Binding energies and ionization potentials of the tetramers of copper, silver, and gold"
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 21 (1990), p. 8378-8379
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1990
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20
Sodupe, M.., Bauschlicher, Charles W.., ... The metal-ligand binding energies for Sr(H2O)+n
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 95, No. 12 (1991), p. 9422-9423
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1991