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Julia E. Rice

Veröffentlichungen von Julia E. Rice zu Rice, Julia E.. ->
weitere Veröffentlichungen von Julia E. Rice:
Frequency-dependent hyperpolarizabilities for argon, krypton, and neon: Comparison with experiment (1992)
[5]Paracyclophane. An important example of ring strain and aromaticity in hydrocarbon compounds (1987)
Proton affinity of methyl nitrate: less than proton affinity of nitric acid (1992)
Silicocene, (C5H5)2Si: a highly symmetric sandwich compound? (1989)
Ab initio study of the chlorine nitrate protonation reaction: implications for loss of ClONO2 in the stratosphere (1993)
Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms (1992)
Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase (1994)
A study of solvent effects on hyperpolarizabilities: The reaction field model applied to acetonitrile (1993)
A multiconfiguration self-consistent-field (MCSCF) study of the bent and linear conformations of HCCN (1987)
Theoretical characterization of tetrahedral N4 (1991)
The calculation of frequency-dependent polarizabilities as pseudo-energy derivatives (1991)
Ab initio determination of the nonlinear optical properties of HCl (1992)
FONO: A difficult case for theory and experiment (1992)
The calculation of frequency-dependent hyperpolarizabilities including electron correlation effects (1992)
Electron correlation effects in hyperpolarizabilities of p-nitroaniline (1993)
Veröffentlichungen zu Rice, Julia E..
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1
Rice, Julia E. Frequency-dependent hyperpolarizabilities for argon, krypton, and neon: Comparison with experiment
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 10 (1992), p. 7580-7586
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1992
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2
Rice, Julia E.. [5]Paracyclophane. An important example of ring strain and aromaticity in hydrocarbon compounds
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 109, No. 10 (1987), p. 2902-2909
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1987
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3
Lee, Timothy J.. Proton affinity of methyl nitrate: less than proton affinity of nitric acid
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 21 (1992), p. 8247-8256
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1992
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4
Lee, Timothy J.. Silicocene, (C5H5)2Si: a highly symmetric sandwich compound?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 6 (1989), p. 2011-2017
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1989
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5
Lee, Timothy J.. Ab initio study of the chlorine nitrate protonation reaction: implications for loss of ClONO2 in the stratosphere
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 25 (1993), p. 6637-6644
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1993
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6
Lee, Timothy J.. Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 2 (1992), p. 650-657
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1992
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7
Shelton, David P.. Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase
In: Chemical reviews. - Washington, DC : ACS Publ., ISSN 1520-6890, Vol. 94, No. 1 (1994), p. 3-29
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1994
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8
Willetts, Andrew., Rice, Julia E.. A study of solvent effects on hyperpolarizabilities: The reaction field model applied to acetonitrile
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 99, No. 1 (1993), p. 426-435
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1993
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9
Rice, Julia E.., Schaefer, Henry F.. A multiconfiguration self-consistent-field (MCSCF) study of the bent and linear conformations of HCCN
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 86, No. 12 (1987), p. 7051-7053
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1987
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10
Lee, Timothy J.., Rice, Julia E.. Theoretical characterization of tetrahedral N4
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 94, No. 2 (1991), p. 1215-1221
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1991
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11
Rice, Julia E.., Handy, Nicholas C.. The calculation of frequency-dependent polarizabilities as pseudo-energy derivatives
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 94, No. 7 (1991), p. 4959-4971
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1991
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12
Hammond, Brian L.., Rice, Julia E.. Ab initio determination of the nonlinear optical properties of HCl
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 97, No. 2 (1992), p. 1138-1143
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1992
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13
Lee, Timothy J.., Rice, Julia E.. FONO: A difficult case for theory and experiment
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 97, No. 6 (1992), p. 4223-4232
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1992
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14
Rice, Julia E.., Handy, Nicholas C.. The calculation of frequency-dependent hyperpolarizabilities including electron correlation effects
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 43 (1. 1992), p. 91-118
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1992
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15
Sim, Fiona. Electron correlation effects in hyperpolarizabilities of p-nitroaniline
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 6 (1993), p. 1158-1163
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1993
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16
Lee, Timothy J.., Rice, Julia E.., ... The infrared spectrum of the acetylene radical cation C2H+2. A theoretical study using SCF, MCSCF, and CI methods
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 86, No. 5 (1987), p. 3051-3053
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1987
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17
Rice, Julia E.., Lee, Timothy J.., ... The analytic gradient for the coupled pair functional method: Formula and application for HCl, H2CO, and the dimer H2CO⋅⋅⋅HCl
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 88, No. 11 (1988), p. 7011-7023
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1988
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18
Dang, Liem X.., Rice, Julia E.., ... The effect of water models on the interaction of the sodium–chloride ion pair in water: Molecular dynamics simulations
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 93, No. 10 (1990), p. 7528-7529
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1990
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19
Lindh, Roland., Rice, Julia E.., ... The energy separation between the classical and nonclassical isomers of protonated acetylene. An extensive study in one- and n-particle space
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 94, No. 12 (1991), p. 8008-8014
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1991
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20
Dang, Liem X.. Ion solvation in polarizable water: molecular dynamics simulations
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 7 (1991), p. 2481-2486
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1991