Ab initio study of long-range electron transfer between biphenyl anion radical and naphthalene

Science in China Series B Chemistry ◽

10.1007/bf02873974 ◽

1999 ◽

Vol 42 (4) ◽

pp. 441-448 ◽

Author(s):

Xiangyuan Li ◽

Shunqing Xiao ◽

Fucheng He

Keyword(s):

Electron Transfer ◽

Ab Initio ◽

Anion Radical ◽

Ab Initio Study

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Ab initio based effective Hamiltonians for long‐range electron transfer: Hartree–Fock analysis

The Journal of Chemical Physics ◽

10.1063/1.472788 ◽

1996 ◽

Vol 105 (21) ◽

pp. 9561-9573 ◽

Author(s):

Igor V. Kurnikov ◽

David N. Beratan

Keyword(s):

Electron Transfer ◽

Ab Initio ◽

Hartree Fock ◽

Effective Hamiltonians

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ChemInform Abstract: AB INITIO STUDY OF THE ELECTRONIC STRUCTURE AND HYPERFINE COUPLING PROPERTIES IN SIMPLE HYDROCARBON RADICALS PART 2, SHORT-RANGE AND LONG-RANGE INTERACTIONS IN ALKYL FREE RADICALS

Chemischer Informationsdienst ◽

10.1002/chin.197516091 ◽

1975 ◽

Vol 6 (16) ◽

Author(s):

Y. ELLINGER ◽

R. SUBRA ◽

B. LEVY ◽

P. MILLIE ◽

G. BERTHIER

Keyword(s):

Electronic Structure ◽

Free Radicals ◽

Ab Initio ◽

Short Range ◽

Hyperfine Coupling ◽

Ab Initio Study ◽

Long Range Interactions ◽

Hydrocarbon Radicals

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Ab initio study of hydrogen bonding interaction and photoinduced electron transfer between 4-nitroquinoline-1-oxide and tryptophan

International Journal of Quantum Chemistry ◽

10.1002/qua.20005 ◽

2004 ◽

Vol 98 (1) ◽

pp. 33-43 ◽

Author(s):

Ji-Feng Liu ◽

Xiang-Yuan Li ◽

Quan Zhu

Keyword(s):

Electron Transfer ◽

Hydrogen Bonding ◽

Ab Initio ◽

Photoinduced Electron Transfer ◽

Ab Initio Study ◽

Hydrogen Bonding Interaction ◽

Bonding Interaction

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Dissociations of Gas-Phase CHClF and CHCl2Radicals and Cations following Collisional Electron Transfer. A Variable-Time Neutralization−Reionization and ab Initio Study

The Journal of Physical Chemistry ◽

10.1021/jp952416i ◽

1996 ◽

Vol 100 (1) ◽

pp. 224-232 ◽

Author(s):

Martin Sadílek ◽

František Tureček

Keyword(s):

Electron Transfer ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

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Theoretical Study of Intramolecular Long-Range Electron Transfer Reactions between Porphyrin and Benzoquinone: Ab Initio Calculations of Electronic Coupling Element

The Journal of Physical Chemistry A ◽

10.1021/jp971978u ◽

1998 ◽

Vol 102 (17) ◽

pp. 2878-2887 ◽

Author(s):

Shigehiko Hayashi ◽

Shigeki Kato

Keyword(s):

Electron Transfer ◽

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Transfer Reactions ◽

Electronic Coupling ◽

Coupling Element ◽

Electron Transfer Reactions

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Long range stereoelectronic effects and the W arrangement, an ab initio study of β-haloanions.

Tetrahedron Letters ◽

10.1016/s0040-4039(00)71401-8 ◽

1980 ◽

Vol 21 (2) ◽

pp. 159-162 ◽

Author(s):

J.M. Lehn ◽

G. Wipff

Keyword(s):

Ab Initio ◽

Ab Initio Study ◽

Stereoelectronic Effects

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Covalent Linking Greatly Enhances Photoinduced Electron Transfer in Fullerene-Quantum Dot Nanocomposites: Time-Domain Ab Initio Study

The Journal of Physical Chemistry Letters ◽

10.1021/jz301878y ◽

2012 ◽

Vol 4 (1) ◽

pp. 1-6 ◽

Author(s):

Vitaly V. Chaban ◽

Victor V. Prezhdo ◽

Oleg V. Prezhdo

Keyword(s):

Electron Transfer ◽

Quantum Dot ◽

Ab Initio ◽

Time Domain ◽

Photoinduced Electron Transfer ◽

Ab Initio Study

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Ab Initio Study on the Structure and Splitting of the Uracil Dimer Anion Radical

The Journal of Physical Chemistry A ◽

10.1021/jp971187s ◽

1997 ◽

Vol 101 (44) ◽

pp. 8335-8338 ◽

Author(s):

Alexander A. Voityuk ◽

Notker Rösch

Keyword(s):

Ab Initio ◽

Anion Radical ◽

Ab Initio Study

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Dissociative electron transfer. Ab initio study of the carbon-halogen bond reductive cleavage in methyl and perfluoromethyl halides. Role of the solvent

Journal of the American Chemical Society ◽

10.1021/ja00050a042 ◽

1992 ◽

Vol 114 (24) ◽

pp. 9576-9583 ◽

Author(s):

Juan Bertran ◽

Iluminada Gallardo ◽

Miquel Moreno ◽

Jean Michel Saveant

Keyword(s):

Electron Transfer ◽

Ab Initio ◽

Halogen Bond ◽

Reductive Cleavage ◽

Ab Initio Study ◽

Dissociative Electron Transfer

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An ab initio study of specific solvent effects on the electronic coupling element in electron transfer reactions

The Journal of Chemical Physics ◽

10.1063/1.477403 ◽

1998 ◽

Vol 109 (17) ◽

pp. 7414-7423 ◽

Author(s):

Thomas M. Henderson ◽

Robert J. Cave

Keyword(s):

Electron Transfer ◽

Ab Initio ◽

Solvent Effects ◽

Transfer Reactions ◽

Electronic Coupling ◽

Ab Initio Study ◽

Coupling Element ◽

Electron Transfer Reactions

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