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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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21
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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22
Partridge, Harry, Bauschlicher, Charles W. The importance of valencep functions in the bonding of Na2, K2, and Cu2 and their positive and negative ions
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 83 (3/4. 1992), p. 201-208
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1992
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23
Bauschlicher, Charles W., Partridge, Harry On the invariance of the configuration interaction energy with respect to orbital rotations
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 85 (4. 1993), p. 255-259
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1993
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24
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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25
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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26
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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27
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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28
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
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29
Stallcop, James R.., Partridge, Harry., ... Resonance charge transfer, transport cross sections, and collision integrals for N+(3P )–N(4S0) and O+(4S0)–O(3P ) interactions
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 95, No. 9 (1991), p. 6429-6439
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1991
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30
Stallcop, James R.., Partridge, Harry., ... Collision integrals for the interaction of the ions of nitrogen and oxygen in a plasma at high temperatures and pressures
In: Physics of Fluids. - New York, NY : American Institute of Physics, Vol. 4, No. 2 (1992), p. 386-391
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1992
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31
Bauschlicher, Charles W.., Sodupe, Mariona., ... A theoretical study of the positive and dipositive ions of M(NH3)n and M(H2O)n for M=Mg, Ca, or Sr
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 6 (1992), p. 4453-4463
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1992
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32
Shen, Mingzuo., Schaefer, Henry F.., ... Tungsten hexahydride (WH6). An equilibrium geometry far from octahedral
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 1 (1993), p. 508-521
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1993
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33
Levin, Eugene, Stallcop, James R., ... Transport properties of boron and aluminum
Vol. 103 (6. 2000), p. 518-523
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2000
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34
Bauschlicher, Charles W.. Determination of the structure and bond energies of nickel dioxide and copper dioxide
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 4 (1993), p. 856-859
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1993
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35
Bauschlicher, Charles W.. Theoretical study of the alkaline-earth metal superoxides BeO2 through SrO2
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 23 (1992), p. 9259-9264
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1992
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36
Langhoff, Stephen R.. Theoretical study of one and two ammonia molecules bound to the first-row transition metal ions
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 26 (1991), p. 10677-10681
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1991
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37
Langhoff, Stephen R.., Bauschlicher, Charles W.., ... Theoretical study of the N+2 Meinel system
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 87, No. 8 (1987), p. 4716-4721
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1987
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38
Partridge, Harry., Langhoff, Stephen R.., ... Theoretical study of the alkali and alkaline–earth monosulfides
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 88, No. 10 (1988), p. 6431-6437
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1988
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39
Langhoff, Stephen R.., Bauschlicher, Charles W.., ... Theoretical study of the scandium and yttrium halides
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 89, No. 1 (1988), p. 396-407
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1988
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40
Langhoff, Stephen R.., Bauschlicher, Charles W.., ... Erratum: Theoretical study of the scandium and yttrium halides [J. Chem. Phys. 89, 396 (1988)]
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 89, No. 12 (1988), p. 7649-7649
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1988