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Isaiah Shavitt

Veröffentlichungen von Isaiah Shavitt zu Shavitt, Isaiah. ->
weitere Veröffentlichungen von Isaiah Shavitt:
Ab initio study of spiropentadiene, C5H4 (1991)
Accurate ab initio calculations on the singlet-triplet separation in methylene (1978)
Comparison of theoretical methods for the determination of the protonation and deprotonation energies of ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, hydrogen chloride and hydrogen cyanide (1990)
Accuracy of energy extrapolation in multireference configuration interaction calculations (1981)
Stabilities of hydrocarbons and carbocations. 1. A comparison of augmented 6-31G, 6-311G, and correlation consistent basis sets (1992)
Structure, binding energy, and vibrational frequencies of acetonitrile...hydrogen chloride (1991)
Comparison of theoretical methods for the determination of the Li+ Affinities of neutral and anionic first- and second-row bases (1990)
Potential energy surfaces and vibrational spectra of H5O2+ and larger hydrated proton complexes (1995)
Selection of terms for a CI wavefunction to preserve potential surface features (1977)
An ab initio determination of the potential-energy surfaces and rotation–vibration energy levels of methylene in the lowest triplet and singlet states and the singlet–triplet splitting (1989)
Theoretical study of the di-imide (N2H2) molecule in ground and n→π* excited states (1992)
Configuration selection and extrapolation in multireference configuration interaction calculations: The (H2)2 van der waals complex as a benchmark example (1987)
A theoretical study of the complexes of N2O with H+, Li+, and HF using various correlation methods (1990)
The quartic force field of H2O determined by many-body methods. II. Effects of triple excitations (1987)
Is the stereomutation of methane possible? (1995)
Veröffentlichungen zu Shavitt, Isaiah.
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1
Shavitt, Isaiah. Ab initio study of spiropentadiene, C5H4
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 24 (1991), p. 9389-9391
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1991
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2
Bauschlicher, Charles W.. Accurate ab initio calculations on the singlet-triplet separation in methylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 100, No. 3 (1978), p. 739-743
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1978
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3
Del Bene, Janet E.. Comparison of theoretical methods for the determination of the protonation and deprotonation energies of ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, hydrogen...
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 14 (1990), p. 5514-5518
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1990
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4
Jackels, Charles F., Shavitt, Isaiah Accuracy of energy extrapolation in multireference configuration interaction calculations
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 58 (2. 1981), p. 81-96
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1981
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5
Del Bene, Janet E.. Stabilities of hydrocarbons and carbocations. 1. A comparison of augmented 6-31G, 6-311G, and correlation consistent basis sets
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 5 (1992), p. 1631-1640
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1992
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6
Del Bene, Janet E.. Structure, binding energy, and vibrational frequencies of acetonitrile...hydrogen chloride
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 14 (1991), p. 5387-5388
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1991
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7
Bene, Janet E. Del., Shavitt, Isaiah. Comparison of theoretical methods for the determination of the Li+ Affinities of neutral and anionic first- and second-row bases
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 38 (S24. 1990), p. 365-373
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1990
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8
Ojamäe, Lars., Shavitt, Isaiah., ... Potential energy surfaces and vibrational spectra of H5O2+ and larger hydrated proton complexes
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 56 (S29. 1995), p. 657-668
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1995
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9
Raffenetti, Richard C., Hsu, Kang, ... Selection of terms for a CI wavefunction to preserve potential surface features
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 45 (1. 1977), p. 33-44
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1977
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10
Comeau, Donald C.., Shavitt, Isaiah., ... An ab initio determination of the potential-energy surfaces and rotation–vibration energy levels of methylene in the lowest triplet and singlet states and the...
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 90, No. 11 (1989), p. 6491-6500
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1989
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11
Kim, Kyungsun., Shavitt, Isaiah., ... Theoretical study of the di-imide (N2H2) molecule in ground and n→π* excited states
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 10 (1992), p. 7573-7579
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1992
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12
Shavitt, Isaiah., Brown, Franklin B.., ... Configuration selection and extrapolation in multireference configuration interaction calculations: The (H2)2 van der waals complex as a benchmark example
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 31 (3. 1987), p. 507-520
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1987
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13
Bene, Janet E. Del., Stahlberg, Eric A.., ... A theoretical study of the complexes of N2O with H+, Li+, and HF using various correlation methods
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 38 (S24. 1990), p. 455-466
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1990
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14
Bartlett, Rodney J.., Cole, Samuel J.., ... The quartic force field of H2O determined by many-body methods. II. Effects of triple excitations
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 87, No. 11 (1987), p. 6579-6591
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1987
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15
Pepper, Melanie J. M.., Shavitt, Isaiah., ... Is the stereomutation of methane possible?
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 16 (2. 1995), p. 207-225
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1995
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16
Shepard, Ron., Shavitt, Isaiah., ... A progress report on the status of the COLUMBUS MRCI program system
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 34 (S22. 1988), p. 149-165
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1988