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Jon Baker

Veröffentlichungen von Jon Baker zu Baker, Jon. ->
weitere Veröffentlichungen von Jon Baker:
A comparison of the resonance Raman properties of the fast and slow forms of cytochrome oxidase (1988)
Instructional Methods and College Student Ratings of Courses and Instructors / (1972)
EOM/Propagator ionization potentials: Effect of an extended operator manifold on the predicted valence-shell ionization spectra of ethane, ethylene, and acetylene (1985)
An algorithm for the location of transition states (1986)
An algorithm for geometry optimization without analytical gradients (1987)
Geometry optimization in Cartesian coordinates: Constrained optimization (1992)
Techniques for geometry optimization: A comparison of cartesian and natural internal coordinates (1993)
Constrained optimization in delocalized internal coordinates (1997)
Classical chemical concepts from ab initio SCF calculations (1985)
Assessment of the Handy–Cohen optimized exchange density functional for organic reactions (2002)
Geometry optimization of atomic microclusters using inverse-power distance coordinates (1996)
Constrained optimization in cartesian coordinates (1993)
The location of transition states: A comparison of Cartesian, Z-matrix, and natural internal coordinates (1996)
Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants (1998)
Geometry optimization in cartesian coordinates: The end of the Z-matrix? (1991)
Veröffentlichungen zu Baker, Jon.
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1
Schoonover, Jon R.. A comparison of the resonance Raman properties of the fast and slow forms of cytochrome oxidase
In: Biochemistry. - Columbus, Ohio : American Chemical Society, ISSN 1520-4995, Vol. 27, No. 15 (1988), p. 5433-5440
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1988
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2
Bausell, R. Baker Instructional Methods and College Student Ratings of Courses and Instructors
in: The Journal of Experimental Education., Vol. 40, No. 4 (1972), p. 29
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1972
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3
Baker, Jon. EOM/Propagator ionization potentials: Effect of an extended operator manifold on the predicted valence-shell ionization spectra of ethane, ethylene, and acetylene
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 27 (2. 1985), p. 145-157
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1985
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4
Baker, Jon. An algorithm for the location of transition states
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 7 (4. 1986), p. 385-395
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1986
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5
Baker, Jon. An algorithm for geometry optimization without analytical gradients
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. 563-574
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1987
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6
Baker, Jon. Geometry optimization in Cartesian coordinates: Constrained optimization
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 13 (2. 1992), p. 240-253
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1992
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7
Baker, Jon. Techniques for geometry optimization: A comparison of cartesian and natural internal coordinates
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 14 (9. 1993), p. 1085-1100
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1993
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8
Baker, Jon. Constrained optimization in delocalized internal coordinates
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 18 (8. 1997), p. 1079-1095
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1997
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9
Baker, Jon Classical chemical concepts from ab initio SCF calculations
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 68 (3. 1985), p. 221-229
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1985
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10
Baker, Jon., Pulay, Peter. Assessment of the Handy–Cohen optimized exchange density functional for organic reactions
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 117, No. 4 (2002), p. 1441-1449
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2002
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11
Baker, Jon., Pulay, Peter. Geometry optimization of atomic microclusters using inverse-power distance coordinates
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 105, No. 24 (1996), p. 11100-11107
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1996
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12
Baker, Jon., Bergeron, Doreen. Constrained optimization in cartesian coordinates
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 14 (11. 1993), p. 1339-1346
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1993
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13
Baker, Jon., Chan, Fora. The location of transition states: A comparison of Cartesian, Z-matrix, and natural internal coordinates
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 17 (7. 1996), p. 888-904
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1996
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14
Baker, Jon., Pulay, Peter. Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 19 (10. 1998), p. 1187-1204
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1998
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15
Baker, Jon., Hehre, Warren J.. Geometry optimization in cartesian coordinates: The end of the Z-matrix?
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 12 (5. 1991), p. 606-610
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1991
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16
Baker, Jon., Kinghorn, Don., ... Geometry optimization in delocalized internal coordinates: An efficient quadratically scaling algorithm for large molecules
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 110, No. 11 (1999), p. 4986-4991
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1999
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17
Baker, Jon., Muir, Max., ... A study of some organic reactions using density functional theory
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 102, No. 5 (1995), p. 2063-2079
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1995
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18
Baker, Jon., Kessi, Alain., ... The generation and use of delocalized internal coordinates in geometry optimization
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 105, No. 1 (1996), p. 192-212
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1996
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19
Baker, Jon., Nobes, Ross H.., ... The evaluation of molecular electron affinitiesDedicated to Professor John A. Pople on the occasion of his 60th birthday.
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 7 (3. 1986), p. 349-358
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1986
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20
Wong, Ming Wah. The ethyl dication (CH3CH2.bul.2+): classical (open) or nonclassical (bridged)?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 109, No. 8 (1987), p. 2245-2250
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1987