-
1
-
-
0038208381
-
Radical Initiation in the Class i Ribonucleotide Reductase: Long-Range Proton-Coupled Electron Transfer?
-
Stubbe, J.; Nocera, D. G.; Yee, C. S.; Chang, M. C. Radical Initiation in the Class I Ribonucleotide Reductase: Long-Range Proton-Coupled Electron Transfer? Chem. Rev. 2003, 103, 2167-2202
-
(2003)
Chem. Rev.
, vol.103
, pp. 2167-2202
-
-
Stubbe, J.1
Nocera, D.G.2
Yee, C.S.3
Chang, M.C.4
-
2
-
-
0038604805
-
Free Radical Catalysis by Galactose Oxidase
-
Whittaker, J. W. Free Radical Catalysis by Galactose Oxidase Chem. Rev. 2003, 103, 2347-2364
-
(2003)
Chem. Rev.
, vol.103
, pp. 2347-2364
-
-
Whittaker, J.W.1
-
3
-
-
0038305458
-
Structure and Function of DNA Photolyase and Cryptochrome Blue-Light Photoreceptors
-
Sancar, A. Structure and Function of DNA Photolyase and Cryptochrome Blue-Light Photoreceptors Chem. Rev. 2003, 103, 2203-2238
-
(2003)
Chem. Rev.
, vol.103
, pp. 2203-2238
-
-
Sancar, A.1
-
4
-
-
78650545848
-
Proton-Coupled Electron Transfer in Cytochrome Oxidase
-
Kaila, V. R. I.; Verkhovsky, M. I.; Wikström, M. Proton-Coupled Electron Transfer in Cytochrome Oxidase Chem. Rev. 2010, 110, 7062-7081
-
(2010)
Chem. Rev.
, vol.110
, pp. 7062-7081
-
-
Kaila, V.R.I.1
Verkhovsky, M.I.2
Wikström, M.3
-
5
-
-
84865076176
-
Proton-Coupled Electron Transfer
-
Weinberg, D. R.; Gagliardi, C. J.; Hull, J. F.; Murphy, C. F.; Kent, C. A.; Westlake, B. C.; Paul, A.; Ess, D. H.; McCafferty, D. G.; Meyer, T. J. Proton-Coupled Electron Transfer Chem. Rev. 2012, 112, 4016-4093
-
(2012)
Chem. Rev.
, vol.112
, pp. 4016-4093
-
-
Weinberg, D.R.1
Gagliardi, C.J.2
Hull, J.F.3
Murphy, C.F.4
Kent, C.A.5
Westlake, B.C.6
Paul, A.7
Ess, D.H.8
McCafferty, D.G.9
Meyer, T.J.10
-
6
-
-
84881455431
-
Determining complete electron flow in the cofactor photoreduction of oxidized photolyase
-
Liu, Z.; Tan, C.; Guo, X.; Li, J.; Wang, L.; Sancar, A.; Zhong, D. Determining complete electron flow in the cofactor photoreduction of oxidized photolyase Proc. Natl. Acad. Sci. U.S.A. 2013, 110, 12966-12971
-
(2013)
Proc. Natl. Acad. Sci. U.S.A.
, vol.110
, pp. 12966-12971
-
-
Liu, Z.1
Tan, C.2
Guo, X.3
Li, J.4
Wang, L.5
Sancar, A.6
Zhong, D.7
-
7
-
-
84878349958
-
The Reaction Center of Oxygenic Photosynthesis
-
Vinyard, D. J.; Ananyev, G. M.; Charles Dismukes, G.; Photosystem, I. I. The Reaction Center of Oxygenic Photosynthesis Annu. Rev. Biochem. 2013, 82, 577-606
-
(2013)
Annu. Rev. Biochem.
, vol.82
, pp. 577-606
-
-
Vinyard, D.J.1
Ananyev, G.M.2
Charles Dismukes, G.3
Photosystem, I.I.4
-
8
-
-
84877877973
-
Reversible, Long-Range Radical Transfer in E. Coli Class Ia Ribonucleotide Reductase
-
Minnihan, E. C.; Nocera, D. G.; Stubbe, J. Reversible, Long-Range Radical Transfer in E. coli Class Ia Ribonucleotide Reductase Acc. Chem. Res. 2013, 46, 2524-2535
-
(2013)
Acc. Chem. Res.
, vol.46
, pp. 2524-2535
-
-
Minnihan, E.C.1
Nocera, D.G.2
Stubbe, J.3
-
9
-
-
84897987543
-
Biochemistry and Theory of Proton-Coupled Electron Transfer
-
Migliore, A.; Polizzi, N. F.; Therien, M. J.; Beratan, D. N. Biochemistry and Theory of Proton-Coupled Electron Transfer Chem. Rev. 2014, 114, 3381-3465
-
(2014)
Chem. Rev.
, vol.114
, pp. 3381-3465
-
-
Migliore, A.1
Polizzi, N.F.2
Therien, M.J.3
Beratan, D.N.4
-
10
-
-
7544227821
-
Enzymatic Biofuel Cells for Implantable and Microscale Devices
-
Barton, S. C.; Gallaway, J.; Atanassov, P. Enzymatic Biofuel Cells for Implantable and Microscale Devices Chem. Rev. 2004, 104, 4867-4886
-
(2004)
Chem. Rev.
, vol.104
, pp. 4867-4886
-
-
Barton, S.C.1
Gallaway, J.2
Atanassov, P.3
-
11
-
-
0007758337
-
Peptide-mediated intramolecular electron transfer: Long-range distance dependence
-
Isied, S. S.; Ogawa, M. Y.; Wishart, J. F. Peptide-mediated intramolecular electron transfer: long-range distance dependence Chem. Rev. 1992, 92, 381-394
-
(1992)
Chem. Rev.
, vol.92
, pp. 381-394
-
-
Isied, S.S.1
Ogawa, M.Y.2
Wishart, J.F.3
-
12
-
-
0033523919
-
Natural engineering principles of electron tunnelling in biological oxidation reduction
-
Page, C. C.; Moser, C. C.; Chen, X.; Dutton, P. L. Natural engineering principles of electron tunnelling in biological oxidation reduction Nature 1999, 402, 47-52
-
(1999)
Nature
, vol.402
, pp. 47-52
-
-
Page, C.C.1
Moser, C.C.2
Chen, X.3
Dutton, P.L.4
-
13
-
-
7444258599
-
Long-Range Electron Transfer Across Peptide Bridges: The Transition from Electron Superexchange to Hopping
-
Malak, R. A.; Gao, Z.; Wishart, J. F.; Isied, S. S. Long-Range Electron Transfer Across Peptide Bridges: The Transition from Electron Superexchange to Hopping J. Am. Chem. Soc. 2004, 126, 13888-13889
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 13888-13889
-
-
Malak, R.A.1
Gao, Z.2
Wishart, J.F.3
Isied, S.S.4
-
14
-
-
28144438785
-
The Nature of Aqueous Tunneling Pathways between Electron-Transfer Proteins
-
Lin, J.; Balabin, I. A.; Beratan, D. N. The Nature of Aqueous Tunneling Pathways Between Electron-Transfer Proteins Science 2005, 310, 1311-1313
-
(2005)
Science
, vol.310
, pp. 1311-1313
-
-
Lin, J.1
Balabin, I.A.2
Beratan, D.N.3
-
15
-
-
33846849448
-
Coupling Coherence Distinguishes Structure Sensitivity in Protein Electron Transfer
-
Prytkova, T. R.; Kurnikov, I. V.; Beratan, D. N. Coupling Coherence Distinguishes Structure Sensitivity in Protein Electron Transfer Science 2007, 315, 622-625
-
(2007)
Science
, vol.315
, pp. 622-625
-
-
Prytkova, T.R.1
Kurnikov, I.V.2
Beratan, D.N.3
-
16
-
-
70449116515
-
Structural basis of inter-protein electron transfer for nitrite reduction in denitrification
-
Nojiri, M.; Koteishi, H.; Nakagami, T.; Kobayashi, K.; Inoue, T.; Yamaguchi, K.; Suzuki, S. Structural basis of inter-protein electron transfer for nitrite reduction in denitrification Nature 2009, 462, 117-120
-
(2009)
Nature
, vol.462
, pp. 117-120
-
-
Nojiri, M.1
Koteishi, H.2
Nakagami, T.3
Kobayashi, K.4
Inoue, T.5
Yamaguchi, K.6
Suzuki, S.7
-
17
-
-
84906860983
-
Unraveling the Interplay of Backbone Rigidity and Electron Rich Side-Chains on Electron Transfer in Peptides: The Realization of Tunable Molecular Wires
-
Horsley, J. R.; Yu, J.; Moore, K. E.; Shapter, J. G.; Abell, A. D. Unraveling the Interplay of Backbone Rigidity and Electron Rich Side-Chains on Electron Transfer in Peptides: The Realization of Tunable Molecular Wires J. Am. Chem. Soc. 2014, 136, 12479-12488
-
(2014)
J. Am. Chem. Soc.
, vol.136
, pp. 12479-12488
-
-
Horsley, J.R.1
Yu, J.2
Moore, K.E.3
Shapter, J.G.4
Abell, A.D.5
-
18
-
-
84866700266
-
Electron Transfer in Peptides and Proteins
-
Wiley: New York, DOI.
-
Giese, B.; Eckhardt, S.; Lauz, M. Electron Transfer in Peptides and Proteins. Encyclopedia of Radicals in Chemistry, Biology and Materials; Wiley: New York, 2012; DOI: 10.1002/9781119953678.rad046.
-
(2012)
Encyclopedia of Radicals in Chemistry, Biology and Materials
-
-
Giese, B.1
Eckhardt, S.2
Lauz, M.3
-
19
-
-
0038637051
-
Long-Range Electron Transfer over 4 nm Governed by an Inelastic Hopping Mechanism in Self-Assembled Monolayers of Helical Peptides
-
Morita, T.; Kimura, S. Long-Range Electron Transfer over 4 nm Governed by an Inelastic Hopping Mechanism in Self-Assembled Monolayers of Helical Peptides J. Am. Chem. Soc. 2003, 125, 8732-8733
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 8732-8733
-
-
Morita, T.1
Kimura, S.2
-
20
-
-
0041854730
-
2,3-Difluorotyrosine at Position 356 of Ribonucleotide Reductase R2: A Probe of Long-Range Proton-Coupled Electron Transfer
-
Yee, C. S.; Chang, M. C. Y.; Ge, J.; Nocera, D. G.; Stubbe, J. 2,3-Difluorotyrosine at Position 356 of Ribonucleotide Reductase R2: A Probe of Long-Range Proton-Coupled Electron Transfer J. Am. Chem. Soc. 2003, 125, 10506-10507
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 10506-10507
-
-
Yee, C.S.1
Chang, M.C.Y.2
Ge, J.3
Nocera, D.G.4
Stubbe, J.5
-
21
-
-
46649087360
-
Electron Relay in Proteins
-
Bollinger, J. M., Jr. Electron Relay in Proteins Science 2008, 320, 1730-1731
-
(2008)
Science
, vol.320
, pp. 1730-1731
-
-
Bollinger, J.M.1
-
22
-
-
24744444691
-
Peptide Electron Transfer: More Questions than Answers
-
Long, Y.; Abu-Irhayem, E.; Kraatz, H. Peptide Electron Transfer: More Questions than Answers Chem.-Eur. J. 2005, 11, 5186-5194
-
(2005)
Chem.-Eur. J.
, vol.11
, pp. 5186-5194
-
-
Long, Y.1
Abu-Irhayem, E.2
Kraatz, H.3
-
23
-
-
80054947627
-
Long-Range Electron Transfer in Biomolecules. Tunneling or Hopping
-
Voityuk, A. A. Long-Range Electron Transfer in Biomolecules. Tunneling or Hopping J. Phys. Chem. B 2011, 115, 12202-12207
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 12202-12207
-
-
Voityuk, A.A.1
-
24
-
-
32244433011
-
PH Rate Profiles of FnY356-R2s (n = 2, 3, 4) in Escherichia coli Ribonucleotide Reductase: Evidence that Y356 Is a Redox-Active Amino Acid along the Radical Propagation Pathway
-
Seyedsayamdost, M. R.; Yee, C. S.; Reece, S. Y.; Nocera, D. G.; Stubbe, J. pH Rate Profiles of FnY356-R2s (n = 2, 3, 4) in Escherichia coli Ribonucleotide Reductase: Evidence that Y356 Is a Redox-Active Amino Acid along the Radical Propagation Pathway J. Am. Chem. Soc. 2006, 128, 1562-1568
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 1562-1568
-
-
Seyedsayamdost, M.R.1
Yee, C.S.2
Reece, S.Y.3
Nocera, D.G.4
Stubbe, J.5
-
25
-
-
46449093308
-
Tryptophan-Accelerated Electron Flow Through Proteins
-
Shih, C.; Museth, A. K.; Abrahamsson, M.; Blanco-Rodriguez, A. M.; Bilio, A. J. D.; Sudhamsu, J.; Crane, B. R.; Ronayne, K. L.; Towrie, M.; Vlček, A., Jr.; Richards, J. H.; Winkler, J. R.; Gray, H. B. Tryptophan-Accelerated Electron Flow Through Proteins Science 2008, 320, 1760-1762
-
(2008)
Science
, vol.320
, pp. 1760-1762
-
-
Shih, C.1
Museth, A.K.2
Abrahamsson, M.3
Blanco-Rodriguez, A.M.4
Bilio, A.J.D.5
Sudhamsu, J.6
Crane, B.R.7
Ronayne, K.L.8
Towrie, M.9
Vlček, A.10
Richards, J.H.11
Winkler, J.R.12
Gray, H.B.13
-
26
-
-
63049099068
-
Electron Transfer in Peptides and Proteins
-
Cordes, M.; Giese, B. Electron Transfer in Peptides and Proteins Chem. Soc. Rev. 2009, 38, 892-901
-
(2009)
Chem. Soc. Rev.
, vol.38
, pp. 892-901
-
-
Cordes, M.1
Giese, B.2
-
27
-
-
33748376918
-
Proton-coupled electron transfer: The mechanistic underpinning for radical transport and catalysis in biology
-
Reece, S. Y.; Hodgkiss, J. M.; Stubbe, J.; Nocera, D. G. Proton-coupled electron transfer: The mechanistic underpinning for radical transport and catalysis in biology Philos. Trans. R. Soc., B 2006, 361, 1351-1364
-
(2006)
Philos. Trans. R. Soc., B
, vol.361
, pp. 1351-1364
-
-
Reece, S.Y.1
Hodgkiss, J.M.2
Stubbe, J.3
Nocera, D.G.4
-
28
-
-
55549100984
-
Electron Hopping through the 15 Å Triple Tryptophan Molecular Wire in DNA Photolyase Occurs within 30 ps
-
Lukacs, A.; Eker, A. P. M.; Byrdin, M.; Brettel, K.; Vos, M. H. Electron Hopping through the 15 Å Triple Tryptophan Molecular Wire in DNA Photolyase Occurs within 30 ps J. Am. Chem. Soc. 2008, 130, 14394-14395
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 14394-14395
-
-
Lukacs, A.1
Eker, A.P.M.2
Byrdin, M.3
Brettel, K.4
Vos, M.H.5
-
29
-
-
84875485525
-
Ultrafast Tryptophan-to-Heme Electron Transfer in Myoglobins Revealed by UV 2D Spectroscopy
-
Consani, C.; Auböck, G.; van Mourik, F.; Chergui, M. Ultrafast Tryptophan-to-Heme Electron Transfer in Myoglobins Revealed by UV 2D Spectroscopy Science 2013, 339, 1586-1589
-
(2013)
Science
, vol.339
, pp. 1586-1589
-
-
Consani, C.1
Auböck, G.2
Van Mourik, F.3
Chergui, M.4
-
30
-
-
80054742096
-
Mutagenesis of tryptophan199 suggests that hopping is required for MauG-dependent tryptophan tryptophylquinone biosynthesis
-
Tarboush, N. A.; Jensen, L. M. R.; Yukl, E. T.; Geng, J.; Liu, A.; Wilmot, C. M.; Davidson, V. L. Mutagenesis of tryptophan199 suggests that hopping is required for MauG-dependent tryptophan tryptophylquinone biosynthesis Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 16956-16961
-
(2011)
Proc. Natl. Acad. Sci. U.S.A.
, vol.108
, pp. 16956-16961
-
-
Tarboush, N.A.1
Jensen, L.M.R.2
Yukl, E.T.3
Geng, J.4
Liu, A.5
Wilmot, C.M.6
Davidson, V.L.7
-
31
-
-
36148975297
-
Direct Observation of a Transient Tyrosine Radical Competent for Initiating Turnover in a Photochemical Ribonucleotide Reductase
-
Reece, S. Y.; Seyedsayamost, M. R.; Stubbe, J.; Nocera, D. G. Direct Observation of a Transient Tyrosine Radical Competent for Initiating Turnover in a Photochemical Ribonucleotide Reductase J. Am. Chem. Soc. 2007, 129, 13828-13830
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 13828-13830
-
-
Reece, S.Y.1
Seyedsayamost, M.R.2
Stubbe, J.3
Nocera, D.G.4
-
32
-
-
80755123373
-
Equilibration of Tyrosyl Radicals (Y356•, Y731•, Y730•) in the Radical Propagation Pathway of the Escherichia coli Class Ia Ribonucleotide Reductase
-
Yokoyama, K.; Smith, A. A.; Corzilius, B.; Griffin, R. G.; Stubbe, J. Equilibration of Tyrosyl Radicals (Y356•, Y731•, Y730•) in the Radical Propagation Pathway of the Escherichia coli Class Ia Ribonucleotide Reductase J. Am. Chem. Soc. 2011, 133, 18420-18432
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 18420-18432
-
-
Yokoyama, K.1
Smith, A.A.2
Corzilius, B.3
Griffin, R.G.4
Stubbe, J.5
-
33
-
-
84867818842
-
ENDOR Spectroscopy and DFT Calculations: Evidence for the Hydrogen-Bond Network Within α2 in the PCET of E. Coli Ribonucleotide Reductase
-
Argirević, T.; Riplinger, C.; Stubbe, J.; Neese, F.; Bennati, M. ENDOR Spectroscopy and DFT Calculations: Evidence for the Hydrogen-Bond Network Within α2 in the PCET of E. coli Ribonucleotide Reductase J. Am. Chem. Soc. 2012, 134, 17661-17670
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 17661-17670
-
-
Argirević, T.1
Riplinger, C.2
Stubbe, J.3
Neese, F.4
Bennati, M.5
-
34
-
-
43849113277
-
Influence of Amino Acid Side Chains on Long-Distance Electron Transfer in Peptides: Electron Hopping via "stepping Stones
-
Cordes, M.; Köttgen, A.; Jasper, C.; Jacques, O.; Boudebous, H.; Giese, B. Influence of Amino Acid Side Chains on Long-Distance Electron Transfer in Peptides: Electron Hopping via "Stepping Stones Angew. Chem., Int. Ed. 2008, 47, 3461-3463
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 3461-3463
-
-
Cordes, M.1
Köttgen, A.2
Jasper, C.3
Jacques, O.4
Boudebous, H.5
Giese, B.6
-
35
-
-
79951800444
-
Electron Transfer in Peptides: The Influence of Charged Amino Acids
-
Gao, J.; Müller, P.; Wang, M.; Eckhardt, S.; Lauz, M.; Fromm, K. M.; Giese, B. Electron Transfer in Peptides: The Influence of Charged Amino Acids Angew. Chem., Int. Ed. 2011, 50, 1926-1930
-
(2011)
Angew. Chem., Int. Ed.
, vol.50
, pp. 1926-1930
-
-
Gao, J.1
Müller, P.2
Wang, M.3
Eckhardt, S.4
Lauz, M.5
Fromm, K.M.6
Giese, B.7
-
36
-
-
10944228409
-
One-Electron Oxidation of Methionine in Peptide Environments: The Effect of Three-Electron Bonding on the Reduction Potential of the Radical Cation
-
Brunelle, P.; Rauk, A. One-Electron Oxidation of Methionine in Peptide Environments: The Effect of Three-Electron Bonding on the Reduction Potential of the Radical Cation J. Phys. Chem. A 2004, 108, 11032-11041
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 11032-11041
-
-
Brunelle, P.1
Rauk, A.2
-
37
-
-
70349952257
-
Electron Transfer in Peptides with Cysteine and Methionine as Relay Amino Acids
-
Wang, M.; Gao, J.; Müller, P.; Giese, B. Electron Transfer in Peptides with Cysteine and Methionine as Relay Amino Acids Angew. Chem., Int. Ed. 2009, 48, 4232-4234
-
(2009)
Angew. Chem., Int. Ed.
, vol.48
, pp. 4232-4234
-
-
Wang, M.1
Gao, J.2
Müller, P.3
Giese, B.4
-
38
-
-
34547471148
-
Sulfur Radical Cation-Peptide Bond Complex in the One-Electron Oxidation of S-Methylglutathione
-
Bobrowski, K.; Hug, G. L.; Pogocki, D.; Marciniak, B.; Schöneich, C. Sulfur Radical Cation-Peptide Bond Complex in the One-Electron Oxidation of S-Methylglutathione J. Am. Chem. Soc. 2007, 129, 9236-9245
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 9236-9245
-
-
Bobrowski, K.1
Hug, G.L.2
Pogocki, D.3
Marciniak, B.4
Schöneich, C.5
-
39
-
-
84856294239
-
An Electron-Transfer Path through an Extended Disulfide Relay System: The Case of the Redox Protein ALR
-
Banci, L.; Bertini, I.; Calderone, V.; Cefaro, C.; Ciofi-Baffoni, S.; Gallo, A.; Tokatlidis, K. An Electron-Transfer Path through an Extended Disulfide Relay System: The Case of the Redox Protein ALR J. Am. Chem. Soc. 2012, 134, 1442-1445
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 1442-1445
-
-
Banci, L.1
Bertini, I.2
Calderone, V.3
Cefaro, C.4
Ciofi-Baffoni, S.5
Gallo, A.6
Tokatlidis, K.7
-
40
-
-
57049120519
-
Relay Stations for Electron Hole Migration in Peptides: Possibility for Formation of Three-Electron Bonds along Peptide Chains
-
Chen, X.; Zhang, L.; Wang, Z.; Li, J.; Bu, Y. Relay Stations for Electron Hole Migration in Peptides: Possibility for Formation of Three-Electron Bonds along Peptide Chains J. Phys. Chem. B 2008, 112, 14302-14311
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 14302-14311
-
-
Chen, X.1
Zhang, L.2
Wang, Z.3
Li, J.4
Bu, Y.5
-
41
-
-
0017861813
-
Chains of Alternating Sulfur and Π-Bonded Atoms in Eight Small Proteins
-
Morgan, R. S.; Tatsch, D. E.; Gushard, R. H.; McAdon, J. M.; Warme, P. K. Chains of Alternating Sulfur and Π-Bonded Atoms in Eight Small Proteins Int. J. Pept. Protein Res. 1978, 11, 209-217
-
(1978)
Int. J. Pept. Protein Res.
, vol.11
, pp. 209-217
-
-
Morgan, R.S.1
Tatsch, D.E.2
Gushard, R.H.3
McAdon, J.M.4
Warme, P.K.5
-
42
-
-
84866649748
-
Aromatic Residues Regulating Electron Relay Ability of S-Containing Amino Acids by Formations of S∴Π Multicenter Three-Electron Bonds in Proteins
-
Chen, X.; Tao, Y.; Li, J.; Dai, H.; Sun, W.; Huang, X.; Wei, Z. Aromatic Residues Regulating Electron Relay Ability of S-Containing Amino Acids by Formations of S∴Π Multicenter Three-Electron Bonds in Proteins J. Phys. Chem. C 2012, 116, 19682-19688
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 19682-19688
-
-
Chen, X.1
Tao, Y.2
Li, J.3
Dai, H.4
Sun, W.5
Huang, X.6
Wei, Z.7
-
43
-
-
84897731895
-
Three-Electron Two-Centred Bonds and the Stabilisation of Cationic Sulfur Radicals
-
Hendon, C. H.; Carbery, D. R.; Walsh, A. Three-Electron Two-Centred Bonds and the Stabilisation of Cationic Sulfur Radicals Chem. Sci. 2014, 5, 1390-1395
-
(2014)
Chem. Sci.
, vol.5
, pp. 1390-1395
-
-
Hendon, C.H.1
Carbery, D.R.2
Walsh, A.3
-
44
-
-
61449211129
-
Interactions of Arenes and Thioethers Resulting in Facilitated Oxidation
-
Chung, W. J.; Ammam, M.; Gruhn, N. E.; Nichol, G. S.; Singh, W. P.; Wilson, G. S.; Glass, R. S. Interactions of Arenes and Thioethers Resulting in Facilitated Oxidation Org. Lett. 2009, 11, 397-400
-
(2009)
Org. Lett.
, vol.11
, pp. 397-400
-
-
Chung, W.J.1
Ammam, M.2
Gruhn, N.E.3
Nichol, G.S.4
Singh, W.P.5
Wilson, G.S.6
Glass, R.S.7
-
45
-
-
84885144890
-
Spectroscopic Evidence for a New Type of Bonding between a Thioether Radical Cation and a Phenyl Group
-
Monney, N. P.-A.; Bally, T.; Bhagavathy, G. S.; Glass, R. S. Spectroscopic Evidence for a New Type of Bonding between a Thioether Radical Cation and a Phenyl Group Org. Lett. 2013, 15, 4932-4935
-
(2013)
Org. Lett.
, vol.15
, pp. 4932-4935
-
-
Monney, N.P.-A.1
Bally, T.2
Bhagavathy, G.S.3
Glass, R.S.4
-
46
-
-
33846699245
-
Π-Π Interaction between Aromatic Ring and Copper-Coordinated His81 Imidazole Regulates the Blue Copper Active-Site Structure
-
Abdelhamid, R. F.; Obara, Y.; Uchida, Y.; Kohzuma, T.; Dooley, D. M.; Brown, D. E.; Hori, H. Π-Π Interaction between Aromatic Ring and Copper-Coordinated His81 Imidazole Regulates the Blue Copper Active-Site Structure J. Biol. Inorg. Chem. 2007, 12, 165-173
-
(2007)
J. Biol. Inorg. Chem.
, vol.12
, pp. 165-173
-
-
Abdelhamid, R.F.1
Obara, Y.2
Uchida, Y.3
Kohzuma, T.4
Dooley, D.M.5
Brown, D.E.6
Hori, H.7
-
47
-
-
84884190622
-
Potent Relay Stations for Electron Transfer in Proteins: Π∴Π Three-Electron Bonds
-
Sun, W.; Dai, H.; Tao, Y.; Xiao, D.; Zhang, Y.; Wei, Z.; Chen, X. Potent Relay Stations for Electron Transfer in Proteins: Π∴Π Three-Electron Bonds J. Phys. Chem. C 2013, 117, 18325-18333
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 18325-18333
-
-
Sun, W.1
Dai, H.2
Tao, Y.3
Xiao, D.4
Zhang, Y.5
Wei, Z.6
Chen, X.7
-
48
-
-
84867427213
-
The Methionine-aromatic Motif Plays a Unique Role in Stabilizing Protein Structures
-
Valley, C. C.; Cembran, A.; Perlmutter, J. D.; Lewis, A. K.; labello, N. P.; Gao, J.; Sachs, J. N. The Methionine-aromatic Motif Plays a Unique Role in Stabilizing Protein Structures J. Bio. Chem. 2012, 287, 34979-34991
-
(2012)
J. Bio. Chem.
, vol.287
, pp. 34979-34991
-
-
Valley, C.C.1
Cembran, A.2
Perlmutter, J.D.3
Lewis, A.K.4
Labello, N.P.5
Gao, J.6
Sachs, J.N.7
-
49
-
-
70450206724
-
-
revision D.01; Gaussian, Inc. Wallingford, CT.
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B. Gaussian 09, revision D.01; Gaussian, Inc.: Wallingford, CT, 2013.
-
(2013)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
50
-
-
0000189651
-
Density-Functional Thermochemistry. III. the Role of Exact Exchange
-
Becke, A. D. Density-Functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
51
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
-
Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
52
-
-
0141509423
-
Contracted Gaussian Basis Sets for Molecular Calculations. I. Second Row Atoms, Z = 11-18
-
McLean, A. D.; Chandler, G. S. Contracted Gaussian Basis Sets for Molecular Calculations. I. Second Row Atoms, Z = 11-18 J. Chem. Phys. 1980, 72, 5639-5648
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 5639-5648
-
-
McLean, A.D.1
Chandler, G.S.2
-
53
-
-
26844534384
-
Self-Consistent Molecular Orbital Methods. XX. A Basis Set for Correlated Wave Functions
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. Self-Consistent Molecular Orbital Methods. XX. A Basis Set for Correlated Wave Functions J. Chem. Phys. 1980, 72, 650-654
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650-654
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
54
-
-
84986468715
-
Efficient Diffuse Function-Augmented Basis Sets for Anion Calculations. III. the 3-21+G Basis Set for First-Row Elements, Li-F
-
Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. v. R. Efficient Diffuse Function-Augmented Basis Sets for Anion Calculations. III. The 3-21+G Basis Set for First-Row Elements, Li-F J. Comput. Chem. 1983, 4, 294-301
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294-301
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, V.P.R.4
-
55
-
-
36549091139
-
Self-Consistent Molecular Orbital Methods 25. Supplementary Functions for Gaussian Basis Sets
-
Frisch, M. J.; Pople, J. A.; Binkley, J. S. Self-Consistent Molecular Orbital Methods 25. Supplementary Functions for Gaussian Basis Sets J. Chem. Phys. 1984, 80, 3265-3269
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265-3269
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
56
-
-
33847124521
-
Charge Localization in Stacked Radical Cation DNA Base Pairs and the Benzene Dimer Studied by Self-Interaction Corrected Density-Functional Theory
-
Mantz, Y.; Gervasio, F.; Laino, T.; Parrinello, M. Charge Localization in Stacked Radical Cation DNA Base Pairs and the Benzene Dimer Studied by Self-Interaction Corrected Density-Functional Theory J. Phys. Chem. A 2007, 111, 105-112
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 105-112
-
-
Mantz, Y.1
Gervasio, F.2
Laino, T.3
Parrinello, M.4
-
57
-
-
84961979102
-
Correction to "theoretical Determination of One-Electron Redox Potentials for DNA Bases, Base Pairs, and Stacks
-
Paukku, Y.; Hill, G. Correction to "Theoretical Determination of One-Electron Redox Potentials for DNA Bases, Base Pairs, and Stacks J. Phys. Chem. A 2011, 115, 4804-4810
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 4804-4810
-
-
Paukku, Y.1
Hill, G.2
-
58
-
-
33646464890
-
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions
-
Zhao, Y.; Schultz, N. E.; Truhlar, D. G. Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions J. Chem. Theory Comput. 2006, 2, 364-382
-
(2006)
J. Chem. Theory Comput.
, vol.2
, pp. 364-382
-
-
Zhao, Y.1
Schultz, N.E.2
Truhlar, D.G.3
-
59
-
-
33646433717
-
Accurate ab Initio Binding Energies of the Benzene Dimer
-
Park, Y. C.; Lee, J. S. Accurate ab Initio Binding Energies of the Benzene Dimer J. Phys. Chem. A 2006, 110, 5091-5095
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 5091-5095
-
-
Park, Y.C.1
Lee, J.S.2
-
60
-
-
84890021933
-
The Calculation of Small Molecular Interactions by the Differences of Separate Total Energies. Some Procedures with Reduced Errors
-
Boys, S. F.; Bernardi, R. The Calculation of Small Molecular Interactions by the Differences of Separate Total Energies. Some Procedures with Reduced Errors Mol. Phys. 1970, 19, 553-559
-
(1970)
Mol. Phys.
, vol.19
, pp. 553-559
-
-
Boys, S.F.1
Bernardi, R.2
-
61
-
-
0001246313
-
State of the Art in Counterpoise Theory
-
van Duijneveldt, F. B.; van Duijneveldt-van de Rijdt, J. G. C. M.; van Lenthe, J. H. State of the Art in Counterpoise Theory Chem. Rev. 1994, 94, 1873-1885
-
(1994)
Chem. Rev.
, vol.94
, pp. 1873-1885
-
-
Van Duijneveldt, F.B.1
Vanduijneveldt-Van De Rijdt, J.G.C.M.2
Van Lenthe, J.H.3
-
62
-
-
0000287603
-
Molecular Excitation Energies to High-Lying Bound States from Time-Dependent Density-Functional Response Theory: Characterization and Correction of the Time-Dependent Local Density Approximation Ionization Threshold
-
Casida, M. E.; Jamorski, C.; Casida, K. C.; Salahub, D. R. Molecular Excitation Energies to High-Lying Bound States from Time-Dependent Density-Functional Response Theory: Characterization and Correction of the Time-Dependent Local Density Approximation Ionization Threshold J. Chem. Phys. 1998, 108, 4439-4449
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4439-4449
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
63
-
-
4143095330
-
Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions
-
Kendall, R. A.; Dunning, T. H.; Harrison, R. J. Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions J. Chem. Phys. 1992, 96, 6796-6806
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796-6806
-
-
Kendall, R.A.1
Dunning, T.H.2
Harrison, R.J.3
-
64
-
-
58149166598
-
On the Construction of Diabatic and Adiabatic Potential Energy Surfaces Based on Ab Initio Valence Bond Theory
-
Song, L.; Gao, J. On the Construction of Diabatic and Adiabatic Potential Energy Surfaces Based on Ab Initio Valence Bond Theory J. Phys. Chem. A 2008, 112, 12925-12935
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 12925-12935
-
-
Song, L.1
Gao, J.2
-
65
-
-
61449147172
-
An Effective Hamiltonian Molecular Orbital-Valence Bond (MOVB) Approach for Chemical Reactions as Applied to the Nucleophilic Substitution Reaction of Hydrosulfide Ion and Chloromethane
-
Song, L.; Mo, Y.; Gao, J. An Effective Hamiltonian Molecular Orbital-Valence Bond (MOVB) Approach for Chemical Reactions as Applied to the Nucleophilic Substitution Reaction of Hydrosulfide Ion and Chloromethane J. Chem. Theory Comput. 2009, 5, 174-185
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 174-185
-
-
Song, L.1
Mo, Y.2
Gao, J.3
-
66
-
-
73949153207
-
Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces
-
Cembran, A.; Song, L.; Mo, Y.; Gao, J. Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces J. Chem. Theory Comput. 2009, 5, 2702-2716
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 2702-2716
-
-
Cembran, A.1
Song, L.2
Mo, Y.3
Gao, J.4
-
67
-
-
84883211805
-
Control of Exchange Interactions in Π Dimers of 6-Oxophenalenoxyl Neutral Π Radicals: Spin-Density Distributions and Multicentered-Two-Electron Bonding Governed by Topological Symmetry and Substitution at the 8-Position
-
Nishida, S.; Kawai, J.; Moriguchi, M.; Ohba, T.; Haneda, N.; Fukui, K.; Fuyuhiro, A.; Shiomi, D.; Sato, K.; Takui, T.; Nakasuji, K.; Morita, Y. Control of Exchange Interactions in Π Dimers of 6-Oxophenalenoxyl Neutral Π Radicals: Spin-Density Distributions and Multicentered-Two-Electron Bonding Governed by Topological Symmetry and Substitution at the 8-Position Chem.-Eur. J. 2013, 19, 11904-11915
-
(2013)
Chem.-Eur. J.
, vol.19
, pp. 11904-11915
-
-
Nishida, S.1
Kawai, J.2
Moriguchi, M.3
Ohba, T.4
Haneda, N.5
Fukui, K.6
Fuyuhiro, A.7
Shiomi, D.8
Sato, K.9
Takui, T.10
Nakasuji, K.11
Morita, Y.12
-
68
-
-
30744470040
-
S∴N and S∴O Three-Electron-Bonded Radicals and Radical Cations in Aqueous Solutions
-
Asmus, K.-D.; Göbl, M.; Hiller, K.-O.; Mahling, S.; Mönig, J. S∴N and S∴O Three-Electron-Bonded Radicals and Radical Cations in Aqueous Solutions J. Chem. Soc., Perkin Trans. 1985, 2, 641-646
-
(1985)
J. Chem. Soc., Perkin Trans.
, vol.2
, pp. 641-646
-
-
Asmus, K.-D.1
Göbl, M.2
Hiller, K.-O.3
Mahling, S.4
Mönig, J.5
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