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Dylan Jayatilaka

Veröffentlichungen von Dylan Jayatilaka zu Jayatilaka, Dylan. ->
weitere Veröffentlichungen von Dylan Jayatilaka:
Electron spin resonance g tensors from general Hartree–Fock calculations (1998)
Open-shell coupled-cluster theory (1993)
Implications of unitary invariance for gradient theory (1992)
Wavefunctions derived from experiment. II. A wavefunction for oxalic acid dihydrate (2001)
Wavefunctions derived from experiment. I. Motivation and theory (2001)
A theoretical study of the polarized neutron scattering from Cs3CoCl5 (2001)
An ab initio calculation of magnetic structure factors for Cs3CoCl5 including spin–orbit and finite magnetic field effects (1995)
A challenge for density functional theory: the XONO and XNO2 (X=F, Cl, and Br) molecules (1997)
Anharmonic corrections to vibrational transition intensities (1990)
The prediction of spectroscopic properties from quartic correlated force fields: HCCF, HFCO, SiH+3 (1990)
Higher analytic derivatives. II. The fourth derivative of self-consistent-field energy (1991)
Higher analytic derivatives. IV. Anharmonic effects in the benzene spectrum (1992)
Open-shell restricted Hartree–Fock perturbation theory: Some considerations and comparisons (1994)
Higher analytic derivatives. I. A new implementation for the third derivative of the SCF energy (1991)
Veröffentlichungen zu Jayatilaka, Dylan.
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1
Jayatilaka, Dylan Electron spin resonance g tensors from general Hartree–Fock calculations
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 108, No. 18 (1998), p. 7587-7594
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1998
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2
Jayatilaka, Dylan., Lee, Timothy J.. Open-shell coupled-cluster theory
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 12 (1993), p. 9734-9747
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1993
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3
Jayatilaka, Dylan., Handy, Nicholas C.. Implications of unitary invariance for gradient theory
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 42 (3. 1992), p. 445-458
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1992
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4
Grimwood, Daniel J.., Jayatilaka, Dylan. Wavefunctions derived from experiment. II. A wavefunction for oxalic acid dihydrate
in: Acta crystallographica. - [S.l.] : IUCR, ISSN 1600-5724, Vol. 57, No. 1 (2001), p. 87-100
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2001
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5
Jayatilaka, Dylan., Grimwood, Daniel J.. Wavefunctions derived from experiment. I. Motivation and theory
in: Acta crystallographica. - [S.l.] : IUCR, ISSN 1600-5724, Vol. 57, No. 1 (2001), p. 76-86
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2001
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6
Li, Zucheng., Jayatilaka, Dylan., ... A theoretical study of the polarized neutron scattering from Cs3CoCl5
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 114, No. 6 (2001), p. 2687-2697
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2001
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7
Wolff, Stephen K.., Jayatilaka, Dylan., ... An ab initio calculation of magnetic structure factors for Cs3CoCl5 including spin–orbit and finite magnetic field effects
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 103, No. 11 (1995), p. 4562-4571
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1995
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8
Lee, Timothy J., Bauschlicher Jr., Charles W., ... A challenge for density functional theory: the XONO and XNO2 (X=F, Cl, and Br) molecules
Vol. 97 (1/4. 1997), p. 185-194
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1997
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9
Willetts, Andrew. Anharmonic corrections to vibrational transition intensities
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 14 (1990), p. 5608-5616
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1990
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10
Green, William H.., Jayatilaka, Dylan., ... The prediction of spectroscopic properties from quartic correlated force fields: HCCF, HFCO, SiH+3
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 93, No. 7 (1990), p. 4965-4981
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1990
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11
Maslen, Paul E.., Jayatilaka, Dylan., ... Higher analytic derivatives. II. The fourth derivative of self-consistent-field energy
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 95, No. 10 (1991), p. 7409-7417
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1991
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12
Maslen, Paul E.., Handy, Nicholas C.., ... Higher analytic derivatives. IV. Anharmonic effects in the benzene spectrum
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 97, No. 6 (1992), p. 4233-4254
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1992
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13
Lee, Timothy J.., Rendell, Alistair P.., ... Open-shell restricted Hartree–Fock perturbation theory: Some considerations and comparisons
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 100, No. 10 (1994), p. 7400-7409
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1994
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14
Colwell, Susan M.., Jayatilaka, Dylan., ... Higher analytic derivatives. I. A new implementation for the third derivative of the SCF energy
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 40 (2. 1991), p. 179-199
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1991