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Timothy J. Lee

Veröffentlichungen von Timothy J. Lee zu Lee, Timothy J.. ->
weitere Veröffentlichungen von Timothy J. Lee:
Ab initio quartic force fields for anions: A benchmark study on 16OH−, 18OH−, and 16OD− (1997)
Theory for externally contracted configuration interaction energy gradients (1987)
A coupled-cluster study of XNO (X=H,F,Cl): An investigation of weak X–N single bonds (1993)
Proton affinity of methyl nitrate: less than proton affinity of nitric acid (1992)
A high-level ab initio study of the anionic hydrogen-bonded complexes FH.cntdot..cntdot..cntdot.CN-, FH.cntdot..cntdot..cntdot.NC-, H2O.cntdot..cntdot..cntdot.CN-, and H2O.cntdot..cntdot..cntdot.NC- (1989)
Silicocene, (C5H5)2Si: a highly symmetric sandwich compound? (1989)
Geometrical structures of four conformers of the phosphocenium ion, P(C5H5)2+. A phosphorus sandwich? (1985)
Toward the laboratory identification of cyclopropenylidene (1985)
Accurate ab Initio Quartic Force Fields, Vibrational Frequencies, and Heats of Formation for FCN, FNC, ClCN, and ClNC (1995)
Ab Initio Characterization of Triatomic Bromine Molecules of Potential Interest in Stratospheric Chemistry (1995)
A Coupled-Cluster Study of the Molecular Structure, Vibrational Spectrum, and Heats of Formation of XONO2 (X = H, F, Cl) (1995)
A Comparative Coupled-Cluster Study of the XOCl and XClO (X = H, F, Cl) Isomers: An Investigation of Hypervalent Chlorine Compounds (1994)
Ab initio characterization of nitryl chloride (ClNO2) and chlorine nitrites (cis-ClONO, and trans-ClONO) (1994)
Accurate quartic force fields and vibrational frequencies for hydrogen cyanide and hydrogen isocyanide (1993)
Ab initio characterization of peroxyhypochlorous acid: implications for atmospheric chemistry (1993)
Veröffentlichungen zu Lee, Timothy J..
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1
Lee, Timothy J. Ab initio quartic force fields for anions: A benchmark study on 16OH−, 18OH−, and 16OD−
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 107, No. 24 (1997), p. 10373-10380
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1997
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2
Lee, Timothy J. Theory for externally contracted configuration interaction energy gradients
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 87, No. 5 (1987), p. 2825-2831
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1987
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3
Lee, Timothy J. A coupled-cluster study of XNO (X=H,F,Cl): An investigation of weak X–N single bonds
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 99, No. 12 (1993), p. 9783-9789
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1993
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4
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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5
Lee, Timothy J.. A high-level ab initio study of the anionic hydrogen-bonded complexes FH.cntdot..cntdot..cntdot.CN-, FH.cntdot..cntdot..cntdot.NC-, H2O.cntdot..cntdot..cntdot.CN-, and...
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 19 (1989), p. 7362-7371
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1989
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6
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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7
Lee, Timothy J.. Geometrical structures of four conformers of the phosphocenium ion, P(C5H5)2+. A phosphorus sandwich?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 107, No. 25 (1985), p. 7239-7243
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1985
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8
Lee, Timothy J.. Toward the laboratory identification of cyclopropenylidene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 107, No. 1 (1985), p. 137-142
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1985
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9
Lee, Timothy J.. Accurate ab Initio Quartic Force Fields, Vibrational Frequencies, and Heats of Formation for FCN, FNC, ClCN, and ClNC
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 43 (1995), p. 15858-15863
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1995
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10
Lee, Timothy J.. Ab Initio Characterization of Triatomic Bromine Molecules of Potential Interest in Stratospheric Chemistry
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 41 (1995), p. 15074-15080
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1995
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11
Lee, Timothy J.. A Coupled-Cluster Study of the Molecular Structure, Vibrational Spectrum, and Heats of Formation of XONO2 (X = H, F, Cl)
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 7 (1995), p. 1943-1948
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1995
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12
Lee, Timothy J.. A Comparative Coupled-Cluster Study of the XOCl and XClO (X = H, F, Cl) Isomers: An Investigation of Hypervalent Chlorine Compounds
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 14 (1994), p. 3697-3700
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1994
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13
Lee, Timothy J.. Ab initio characterization of nitryl chloride (ClNO2) and chlorine nitrites (cis-ClONO, and trans-ClONO)
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 1 (1994), p. 111-115
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1994
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14
Lee, Timothy J.. Accurate quartic force fields and vibrational frequencies for hydrogen cyanide and hydrogen isocyanide
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 35 (1993), p. 8937-8943
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1993
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15
Lee, Timothy J.. Ab initio characterization of peroxyhypochlorous acid: implications for atmospheric chemistry
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 27 (1993), p. 6999-7002
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1993
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16
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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17
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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18
Lee, Timothy J.. Comparison of the quadratic configuration interaction and coupled-cluster approaches to electron correlation including the effect of triple excitations
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 14 (1990), p. 5463-5468
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1990
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19
Cornish, Timothy J.. The n .fwdarw. 3s Rydberg transition of jet-cooled tetrahydropyran, 1,4-dioxane, and 1,4-dioxane-d8 studied by 2 + 1 resonance-enhanced multiphoton ionization
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 93, No. 16 (1989), p. 6064-6069
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1989
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20
Hanusa, Timothy P.. Synthesis of (.pi.-arene)metallacarbaboranes containing ruthenium or osmium and a (.pi.-cyclohexadienyl)cobaltacarbaborane. Crystal structure of 2,5,6-(.eta.-C6H6)RuC2B7H11
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 24, No. 5 (1985), p. 787-792
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1985