Estimation of Electron Transfer Parameters from AM1 Calculations

Stephen F. Nelsen; Fredrik Blomgren

doi:10.1021/jo001705m

Estimation of Electron Transfer Parameters from AM1 Calculations

The Journal of Organic Chemistry ◽

10.1021/jo001705m ◽

2001 ◽

Vol 66 (20) ◽

pp. 6551-6559 ◽

Cited By ~ 83

Author(s):

Stephen F. Nelsen ◽

Fredrik Blomgren

Keyword(s):

Electron Transfer ◽

Am1 Calculations ◽

Transfer Parameters

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Distance dependence of intramolecular electron transfer parameters in mixed-valence asymmetric complexes of ruthenium

Polyhedron ◽

10.1016/0277-5387(94)00375-o ◽

1995 ◽

Vol 14 (9) ◽

pp. 1213-1220 ◽

Cited By ~ 19

Author(s):

Florencia Fagalde ◽

Néstor E Katz

Keyword(s):

Electron Transfer ◽

Mixed Valence ◽

Intramolecular Electron Transfer ◽

Distance Dependence ◽

Transfer Parameters

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Determination of electron transfer parameters via the semiintegral

Analytical Chemistry ◽

10.1021/ac60335a005 ◽

1973 ◽

Vol 45 (13) ◽

pp. 2175-2178 ◽

Cited By ~ 10

Author(s):

J. H. Carney ◽

H. C. Miller

Keyword(s):

Electron Transfer ◽

Transfer Parameters

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Relation of Structural Changes to Electron-Transfer Parameters in Fulvalenediyl Dirhodium Complexes Demonstrating Quasi-Reversible Two-Electron Voltammetry†

Journal of the American Chemical Society ◽

10.1021/ja960259a ◽

1996 ◽

Vol 118 (21) ◽

pp. 5002-5010 ◽

Cited By ~ 13

Author(s):

Teen T. Chin ◽

William E. Geiger ◽

Arnold L. Rheingold

Keyword(s):

Electron Transfer ◽

Structural Changes ◽

Transfer Parameters ◽

Dirhodium Complexes

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Direct Calculation of Electron Transfer Parameters through Constrained Density Functional Theory

The Journal of Physical Chemistry A ◽

10.1021/jp061848y ◽

2006 ◽

Vol 110 (29) ◽

pp. 9212-9218 ◽

Cited By ~ 163

Author(s):

Qin Wu ◽

Troy Van Voorhis

Keyword(s):

Density Functional Theory ◽

Electron Transfer ◽

Density Functional ◽

Direct Calculation ◽

Functional Theory ◽

Transfer Parameters

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The determination of electron transfer parameters for monosubstituted ferrocenes suitable as mediators in amperometric biosensors

Electroanalysis ◽

10.1002/elan.1140030907 ◽

1991 ◽

Vol 3 (9) ◽

pp. 917-923 ◽

Cited By ~ 12

Author(s):

Uwe Löffler ◽

Wolfgang Göpel ◽

Bernd Speiser

Keyword(s):

Electron Transfer ◽

Amperometric Biosensors ◽

Transfer Parameters

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Differential Tuning of the Electron Transfer Parameters in 1,3,5-Triarylpyrazolines: A Rational Design Approach for Optimizing the Contrast Ratio of Fluorescent Probes

Journal of the American Chemical Society ◽

10.1021/ja803074y ◽

2008 ◽

Vol 130 (39) ◽

pp. 13023-13032 ◽

Cited By ~ 54

Author(s):

John Cody ◽

Subrata Mandal ◽

Liuchun Yang ◽

Christoph J. Fahrni

Keyword(s):

Electron Transfer ◽

Fluorescent Probes ◽

Rational Design ◽

Contrast Ratio ◽

Design Approach ◽

Differential Tuning ◽

Transfer Parameters

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Determination of the electron transfer parameters of a covalently linked porphyrin-quinone with mesogenic substituents — optical spectroscopic studies in solution

Journal of Photochemistry and Photobiology B Biology ◽

10.1016/s1011-1344(97)00058-4 ◽

1997 ◽

Vol 40 (3) ◽

pp. 209-217 ◽

Cited By ~ 17

Author(s):

J. Zimmermann ◽

J. von Gersdorff ◽

H. Kurreck ◽

B. Röder

Keyword(s):

Electron Transfer ◽

Spectroscopic Studies ◽

Transfer Parameters ◽

Covalently Linked

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Estimation of Electron Transfer Distances from AM1 Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp002211w ◽

2000 ◽

Vol 104 (44) ◽

pp. 10023-10031 ◽

Cited By ~ 38

Author(s):

Stephen F. Nelsen ◽

Marshall D. Newton

Keyword(s):

Electron Transfer ◽

Am1 Calculations

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Trends in energy gaps of binary compounds: an approach based upon electron transfer parameters from optical spectroscopy

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/13/16/008 ◽

1980 ◽

Vol 13 (16) ◽

pp. 2979-2989 ◽

Cited By ~ 77

Author(s):

J A Duffy

Keyword(s):

Electron Transfer ◽

Optical Spectroscopy ◽

Energy Gaps ◽

Transfer Parameters ◽

Binary Compounds

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Application of the superexchange model to the evaluation method of exchange and 3d-electron transfer parameters in magnetodielectrics

physica status solidi (b) ◽

10.1002/pssb.2221520236 ◽

1989 ◽

Vol 152 (2) ◽

pp. K51-K53

Author(s):

O. A. Bayukov ◽

A. F. Savitskii

Keyword(s):

Electron Transfer ◽

Evaluation Method ◽

Transfer Parameters ◽

3D Electron

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