Ab initio quantum mechanical characterization of the ground electronic states of uracil, 5-fluorouracil, thymine, 5-trifluoromethyluracil, and their 6-methylthio anion derivatives

Jung-Hui Lin; Pierre R. LeBreton

doi:10.1021/j100441a018

Ab initio quantum mechanical characterization of the ground electronic states of uracil, 5-fluorouracil, thymine, 5-trifluoromethyluracil, and their 6-methylthio anion derivatives

The Journal of Physical Chemistry ◽

10.1021/j100441a018 ◽

1980 ◽

Vol 84 (4) ◽

pp. 431-435 ◽

Cited By ~ 10

Author(s):

Jung-Hui Lin ◽

Pierre R. LeBreton

Keyword(s):

Ab Initio ◽

Mechanical Characterization ◽

Electronic States ◽

Quantum Mechanical

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ChemInform Abstract: AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE GROUND ELECTRONIC STATES OF URACIL, 5-FLUOROURACIL, THYMINE, 5-TRIFLUOROMETHYLURACIL, AND THEIR 6-METHYLTHIO ANION DERIVATIVES

Chemischer Informationsdienst ◽

10.1002/chin.198021065 ◽

1980 ◽

Vol 11 (21) ◽

Author(s):

J. LIN ◽

P. R. LEBRETON ◽

L. L. SHIPMAN

Keyword(s):

Ab Initio ◽

Mechanical Characterization ◽

Electronic States ◽

Quantum Mechanical

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Ab initio quantum-mechanical characterization of the electronic states of anthraquinone, quinizarin, and 1,4-diamino anthraquinone

International Journal of Quantum Chemistry ◽

10.1002/qua.560270106 ◽

1985 ◽

Vol 27 (1) ◽

pp. 71-87 ◽

Cited By ~ 21

Author(s):

J. D. Petke ◽

Paul Butler ◽

Gerald M. Maggiora

Keyword(s):

Ab Initio ◽

Mechanical Characterization ◽

Electronic States ◽

Quantum Mechanical

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ChemInform Abstract: AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE LOW-LYING CATION DOUBLET STATES OF URACIL. INTERPRETATION OF UV AND X-RAY PHOTOELECTRON SPECTRA

Chemischer Informationsdienst ◽

10.1002/chin.198043032 ◽

1980 ◽

Vol 11 (43) ◽

Author(s):

T. J. O'DONNELL ◽

P. R. LEBRETON ◽

J. D. PETKE ◽

L. L. SHIPMAN

Keyword(s):

Ab Initio ◽

Mechanical Characterization ◽

Photoelectron Spectra ◽

Quantum Mechanical ◽

X Ray

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STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VII. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRA OF CHLOROPHYLLIDE a AND BACTERIOCHLOROPHYLLIDE a CATION RADICALS

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1980.tb03714.x ◽

1980 ◽

Vol 31 (3) ◽

pp. 243-257 ◽

Cited By ~ 29

Author(s):

J. D. Petke ◽

Gerald M. Maggiora ◽

Lester L. Shipman ◽

Ralph E. Christoffersen

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Cation Radicals ◽

Stereoelectronic Properties

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UV photoelectron and ab initio quantum mechanical characterization of 2'-deoxyguanosine 5'-phosphate: electronic influences on DNA alkylation patterns

Journal of the American Chemical Society ◽

10.1021/ja00067a037 ◽

1993 ◽

Vol 115 (14) ◽

pp. 6169-6183 ◽

Cited By ~ 20

Author(s):

Ho Soon Kim ◽

Min Yu ◽

Qing Jiang ◽

Pierre R. LeBreton

Keyword(s):

Ab Initio ◽

Mechanical Characterization ◽

Dna Alkylation ◽

Quantum Mechanical

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STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS. XI. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRA OF THE CHLOROPHYLLIDE a AND PHEOPHORBIDE a ANION RADICALS

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1982.tb04391.x ◽

1982 ◽

Vol 36 (4) ◽

pp. 383-393 ◽

Cited By ~ 5

Author(s):

J. D. Petke ◽

G. M. Maggiora ◽

Lester L. Shipman ◽

Ralph E. Christoffersen

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Pheophorbide A ◽

Stereoelectronic Properties ◽

Anion Radicals

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UV photoelectron and ab initio quantum mechanical characterization of nucleotides: The valence electronic structure of anionic 2?-deoxyadenosine-5?-phosphate

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1996)60:8<1735::aid-qua2>3.0.co;2-z ◽

1996 ◽

Vol 60 (8) ◽

pp. 1735-1743 ◽

Cited By ~ 4

Author(s):

Nancy S. Kim ◽

Qing Jiang ◽

Pierre R. Lebreton

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Valence Electronic Structure

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UV photoelectron and ab initio quantum mechanical characterization of valence electrons in Na(+)-water-2'-deoxyguanosine 5'-phosphate clusters: electronic influences on DNA alkylation by methylating and ethylating carcinogens.

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.91.9.3725 ◽

1994 ◽

Vol 91 (9) ◽

pp. 3725-3729 ◽

Cited By ~ 12

Author(s):

H. S. Kim ◽

P. R. LeBreton

Keyword(s):

Ab Initio ◽

Mechanical Characterization ◽

Dna Alkylation ◽

Quantum Mechanical ◽

Valence Electrons

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STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—IX. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRUM OF THE BACTERIOCHLOROPHYLLIDE a ANION RADICAL

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1981.tb05472.x ◽

1981 ◽

Vol 33 (5) ◽

pp. 663-671 ◽

Cited By ~ 16

Author(s):

J. D. Petke ◽

Gerald M. Maggiora ◽

Lester L. Sipman ◽

Ralph E. Christoffersen

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Anion Radical ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Stereoelectronic Properties

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STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VIII. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRUM OF THE BACTERIOPHEOPHORBIDE a ANION RADICAL

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1980.tb04036.x ◽

1980 ◽

Vol 32 (5) ◽

pp. 661-667 ◽

Cited By ~ 14

Author(s):

J. D. Petke ◽

Gerald M. Maggiora ◽

Lester L. Shipman ◽

Ralph E. Christoffersen

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Anion Radical ◽

Mechanical Characterization ◽

Quantum Mechanical ◽

Stereoelectronic Properties

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