-
2
-
-
0038640479
-
Non-targeted and Delayed Effects of Exposure to Ionizing Radiation: II. Radiation-induced Genomic Instability and Bystander Effects in vivo, Clastogenic Factors and Transgenerational Effects
-
Morgan, W. F. Non-targeted and Delayed Effects of Exposure to Ionizing Radiation: II. Radiation-induced Genomic Instability and Bystander Effects in vivo, Clastogenic Factors and Transgenerational Effects Radiat. Res. 2003, 159, 581-596
-
(2003)
Radiat. Res.
, vol.159
, pp. 581-596
-
-
Morgan, W.F.1
-
3
-
-
76149146090
-
DNA-Mediated Charge Transport in Redox Sensing and Signaling
-
Genereux, J. C.; Boal, A. K.; Barton, J. K. DNA-Mediated Charge Transport in Redox Sensing and Signaling J. Am. Chem. Soc. 2010, 132, 891-905
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 891-905
-
-
Genereux, J.C.1
Boal, A.K.2
Barton, J.K.3
-
4
-
-
0035997345
-
Long-distance Electron Transfer Through DNA
-
Giese, B. Long-distance Electron Transfer Through DNA Annu. Rev. Biochem. 2002, 71, 51-70
-
(2002)
Annu. Rev. Biochem.
, vol.71
, pp. 51-70
-
-
Giese, B.1
-
5
-
-
84888590871
-
Hole Transfer Kinetics of DNA
-
Kawai, K.; Majima, T. Hole Transfer Kinetics of DNA Acc. Chem. Res. 2013, 46, 2616-2625
-
(2013)
Acc. Chem. Res.
, vol.46
, pp. 2616-2625
-
-
Kawai, K.1
Majima, T.2
-
6
-
-
29544444893
-
Photoinduced DNA Cleavage Via Electron-transfer - Demonstration That Guanine Residues Located 5′ to Guanine are the most Electron-donating Sites
-
Saito, I.; Takayama, M.; Sugiyama, H.; Nakatani, K. Photoinduced DNA Cleavage Via Electron-transfer-Demonstration That Guanine Residues Located 5′ To Guanine are the most Electron-donating Sites J. Am. Chem. Soc. 1995, 117, 6406-6407
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 6406-6407
-
-
Saito, I.1
Takayama, M.2
Sugiyama, H.3
Nakatani, K.4
-
7
-
-
0027403331
-
Mutational Specificity of Oxidative DNA Damage
-
Retel, J.; Hoebee, B.; Braun, J. E. F.; Lutgerink, J. T.; Vandenakker, E.; Wanamarta, A. H.; Joenje, H.; Lafleur, M. V. M Mutational Specificity of Oxidative DNA Damage Mutat. Res. 1993, 299, 165-182
-
(1993)
Mutat. Res.
, vol.299
, pp. 165-182
-
-
Retel, J.1
Hoebee, B.2
Braun, J.E.F.3
Lutgerink, J.T.4
Vandenakker, E.5
Wanamarta, A.H.6
Joenje, H.7
Lafleur, M.V.M.8
-
8
-
-
0001630799
-
One-electron Redox Potentials of Purines and Pyrimidines
-
Jovanovic, S. V.; Simic, M. G. One-electron Redox Potentials of Purines and Pyrimidines J. Phys. Chem. 1986, 90, 974-978
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 974-978
-
-
Jovanovic, S.V.1
Simic, M.G.2
-
9
-
-
0031027125
-
How Easily Oxidizable is DNA? One-electron Reduction Potentials of Adenosine and Guanosine Radicals in Aqueous Solution
-
Steenken, S.; Jovanovic, S. V. How Easily Oxidizable is DNA? One-electron Reduction Potentials of Adenosine and Guanosine Radicals in Aqueous Solution J. Am. Chem. Soc. 1997, 119, 617-618
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 617-618
-
-
Steenken, S.1
Jovanovic, S.V.2
-
10
-
-
0026766945
-
One-Electron-Reduction Potentials of Pyrimidine-Bases, Nucleosides, and Nucleotides in Aqueous-Solution - Consequences for DNA Redox Chemistry
-
Steenken, S.; Telo, J. P.; Novais, H. M.; Candeias, L. P. One-Electron-Reduction Potentials of Pyrimidine-Bases, Nucleosides, and Nucleotides in Aqueous-Solution-Consequences for DNA Redox Chemistry J. Am. Chem. Soc. 1992, 114, 4701-4709
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 4701-4709
-
-
Steenken, S.1
Telo, J.P.2
Novais, H.M.3
Candeias, L.P.4
-
12
-
-
78650157670
-
Can Charge Recombination in DNA Hairpins Be Controlled by Counterions?
-
Siriwong, K.; Voityuk, A. A.; Berlin, Y. A. Can Charge Recombination in DNA Hairpins Be Controlled by Counterions? J. Phys. Chem. C 2010, 114, 20503-20509
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 20503-20509
-
-
Siriwong, K.1
Voityuk, A.A.2
Berlin, Y.A.3
-
13
-
-
79952844542
-
Ionization of Purine Tautomers in Nucleobases, Nucleosides, and Nucleotides: From the Gas Phase to the Aqueous Environment
-
Pluharova, E.; Jungwirth, P.; Bradforth, S. E.; Slavicek, P. Ionization of Purine Tautomers in Nucleobases, Nucleosides, and Nucleotides: From the Gas Phase to the Aqueous Environment J. Phys. Chem. B 2011, 115, 1294-1305
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 1294-1305
-
-
Pluharova, E.1
Jungwirth, P.2
Bradforth, S.E.3
Slavicek, P.4
-
14
-
-
84879648243
-
Base-Specific Ionization of Deprotonated Nucleotides by Resonance Enhanced Two-Photon Detachment
-
Chatterley, A. S.; Johns, A. S.; Stavros, V. G.; Verlet, J. R. R. Base-Specific Ionization of Deprotonated Nucleotides by Resonance Enhanced Two-Photon Detachment J. Phys. Chem. A 2013, 117, 5299-5305
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 5299-5305
-
-
Chatterley, A.S.1
Johns, A.S.2
Stavros, V.G.3
Verlet, J.R.R.4
-
15
-
-
84897786631
-
Mapping the Ultrafast Dynamics of Adenine onto Its Nucleotide and Oligonucleotides by Time-Resolved Photoelectron Imaging
-
Chatterley, A. S.; West, C. W.; Roberts, G. M.; Stavros, V. G.; Verlet, J. R. R. Mapping the Ultrafast Dynamics of Adenine onto Its Nucleotide and Oligonucleotides by Time-Resolved Photoelectron Imaging J. Phys. Chem. Lett. 2014, 5, 843-848
-
(2014)
J. Phys. Chem. Lett.
, vol.5
, pp. 843-848
-
-
Chatterley, A.S.1
West, C.W.2
Roberts, G.M.3
Stavros, V.G.4
Verlet, J.R.R.5
-
16
-
-
11144229609
-
Direct Experimental Observation of the Low Ionization Potentials of Guanine in Free Oligonucleotides by Using Photoelectron Spectroscopy
-
Yang, X.; Wang, X. B.; Vorpagel, E. R.; Wang, L. S. Direct Experimental Observation of the Low Ionization Potentials of Guanine in Free Oligonucleotides by Using Photoelectron Spectroscopy Proc. Natl. Acad. Sci. U. S. A. 2004, 101, 17588-17592
-
(2004)
Proc. Natl. Acad. Sci. U. S. A.
, vol.101
, pp. 17588-17592
-
-
Yang, X.1
Wang, X.B.2
Vorpagel, E.R.3
Wang, L.S.4
-
17
-
-
34548012189
-
Vacuum-ultraviolet Photoionization Studies of the Microhydration of DNA Bases (Guanine, Cytosine, Adenine, and Thymine)
-
Belau, L.; Wilson, K. R.; Leone, S. R.; Ahmed, M. Vacuum-ultraviolet Photoionization Studies of the Microhydration of DNA Bases (Guanine, Cytosine, Adenine, and Thymine) J. Phys. Chem. A 2007, 111, 7562-7568
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 7562-7568
-
-
Belau, L.1
Wilson, K.R.2
Leone, S.R.3
Ahmed, M.4
-
18
-
-
38849101079
-
Photoelectron Spectroscopy of the Parent Anions of the Nucleotides, Adenosine-5′-Monophosphate and 2′-Deoxyadenosine-5′-Monophosphate
-
Stokes, S. T.; Grubisic, A.; Li, X.; Ko, Y. J.; Bowen, K. H. Photoelectron Spectroscopy of the Parent Anions of the Nucleotides, Adenosine-5′-Monophosphate and 2′-Deoxyadenosine-5′-Monophosphate J. Chem. Phys. 2008, 128, 044314
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 044314
-
-
Stokes, S.T.1
Grubisic, A.2
Li, X.3
Ko, Y.J.4
Bowen, K.H.5
-
19
-
-
0036731114
-
Photoionization of DNA and RNA Bases, Nucleosides and Nucleotides Through a Combination of One- and Two-photon Pathways upon 266 nm Nanosecond Laser Excitation
-
Crespo-Hernandez, C. E.; Arce, R. Photoionization of DNA and RNA Bases, Nucleosides and Nucleotides Through a Combination of One- and Two-photon Pathways upon 266 nm Nanosecond Laser Excitation Photochem. Photobiol. 2002, 76, 259-267
-
(2002)
Photochem. Photobiol.
, vol.76
, pp. 259-267
-
-
Crespo-Hernandez, C.E.1
Arce, R.2
-
20
-
-
0000399747
-
UB Photoelectron and Ab-Initio Quantum-Mechanical Characterization of 2′-Deoxyguanosine 5′-Phosphate - Electronic Influences on DNA Alkylation Patterns
-
Kim, H. S.; Yu, M.; Jiang, Q.; Lebreton, P. R. UB Photoelectron and Ab-Initio Quantum-Mechanical Characterization of 2′-Deoxyguanosine 5′-Phosphate-Electronic Influences on DNA Alkylation Patterns J. Am. Chem. Soc. 1993, 115, 6169-6183
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 6169-6183
-
-
Kim, H.S.1
Yu, M.2
Jiang, Q.3
Lebreton, P.R.4
-
21
-
-
0010309116
-
Ionization-Potentials and Electron-Donor Ability of Nucleic-Acid Bases and Their Analogs
-
Orlov, V. M.; Smirnov, A. N.; Varshavsky, Y. M. Ionization-Potentials and Electron-Donor Ability of Nucleic-Acid Bases and Their Analogs Tetrahedron Lett. 1976, 17, 4377-4378
-
(1976)
Tetrahedron Lett.
, vol.17
, pp. 4377-4378
-
-
Orlov, V.M.1
Smirnov, A.N.2
Varshavsky, Y.M.3
-
22
-
-
84855441153
-
A VUV Photoionization and Ab Initio Determination of the Ionization Energy of a Gas-Phase Sugar (Deoxyribose)
-
Ghosh, D.; Golan, A.; Takahashi, L. K.; Krylov, A. I.; Ahmed, M. A VUV Photoionization and Ab Initio Determination of the Ionization Energy of a Gas-Phase Sugar (Deoxyribose) J. Phys. Chem. Lett. 2012, 3, 97-101
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 97-101
-
-
Ghosh, D.1
Golan, A.2
Takahashi, L.K.3
Krylov, A.I.4
Ahmed, M.5
-
23
-
-
0032510687
-
Conduction-Band-Edge Ionization thresholds of DNA Components in Aqueous Solution
-
Fernando, H.; Papadantonakis, G. A.; Kim, N. S.; LeBreton, P. R. Conduction-Band-Edge Ionization thresholds of DNA Components in Aqueous Solution Proc. Natl. Acad. Sci. U. S. A. 1998, 95, 5550-5555
-
(1998)
Proc. Natl. Acad. Sci. U. S. A.
, vol.95
, pp. 5550-5555
-
-
Fernando, H.1
Papadantonakis, G.A.2
Kim, N.S.3
Lebreton, P.R.4
-
24
-
-
79952801505
-
Photoelectron Spectroscopy Meets Aqueous Solution: Studies from a Vacuum Liquid Microjet
-
Seidel, R.; Thurmer, S.; Winter, B. Photoelectron Spectroscopy Meets Aqueous Solution: Studies from a Vacuum Liquid Microjet J. Phys. Chem. Lett. 2011, 2, 633-641
-
(2011)
J. Phys. Chem. Lett.
, vol.2
, pp. 633-641
-
-
Seidel, R.1
Thurmer, S.2
Winter, B.3
-
25
-
-
33646400274
-
Photoemission from Liquid Aqueous Solutions
-
Winter, B.; Faubel, M. Photoemission from Liquid Aqueous Solutions Chem. Rev. 2006, 106, 1176-1211
-
(2006)
Chem. Rev.
, vol.106
, pp. 1176-1211
-
-
Winter, B.1
Faubel, M.2
-
26
-
-
70149096617
-
Ionization Energies of Aqueous Nucleic Acids: Photoelectron Spectroscopy of Pyrimidine Nucleosides and ab Initio Calculations
-
Slavicek, P.; Winter, B.; Faubel, M.; Bradforth, S. E.; Jungwirth, P. Ionization Energies of Aqueous Nucleic Acids: Photoelectron Spectroscopy of Pyrimidine Nucleosides and ab Initio Calculations J. Am. Chem. Soc. 2009, 131, 6460-6467
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 6460-6467
-
-
Slavicek, P.1
Winter, B.2
Faubel, M.3
Bradforth, S.E.4
Jungwirth, P.5
-
27
-
-
84887776023
-
Unexpectedly Small Effect of the DNA Environment on Vertical Ionization Energies of Aqueous Nucleobases
-
Pluharova, E.; Schroeder, C.; Seidel, R.; Bradforth, S. E.; Winter, B.; Faubel, M.; Slavicek, P.; Jungwirth, P. Unexpectedly Small Effect of the DNA Environment on Vertical Ionization Energies of Aqueous Nucleobases J. Phys. Chem. Lett. 2013, 4, 3766-3769
-
(2013)
J. Phys. Chem. Lett.
, vol.4
, pp. 3766-3769
-
-
Pluharova, E.1
Schroeder, C.2
Seidel, R.3
Bradforth, S.E.4
Winter, B.5
Faubel, M.6
Slavicek, P.7
Jungwirth, P.8
-
29
-
-
44949221228
-
Ionization of Imidazole in the Gas Phase, Microhydrated Environments, and in Aqueous Solution
-
Jagoda-Cwiklik, B.; Slavicek, P.; Cwiklik, L.; Nolting, D.; Winter, B.; Jungwirth, P. Ionization of Imidazole in the Gas Phase, Microhydrated Environments, and in Aqueous Solution J. Phys. Chem. A 2008, 112, 3499-3505
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 3499-3505
-
-
Jagoda-Cwiklik, B.1
Slavicek, P.2
Cwiklik, L.3
Nolting, D.4
Winter, B.5
Jungwirth, P.6
-
30
-
-
84866630893
-
Four Bases Score a Run: Ab Initio Calculations Quantify a Cooperative Effect of H-Bonding and pi-Stacking on the Ionization Energy of Adenine in the AATT Tetramer
-
Bravaya, K. B.; Epifanovsky, E.; Krylov, A. I. Four Bases Score a Run: Ab Initio Calculations Quantify a Cooperative Effect of H-Bonding and pi-Stacking on the Ionization Energy of Adenine in the AATT Tetramer J. Phys. Chem. Lett. 2012, 3, 2726-2732
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 2726-2732
-
-
Bravaya, K.B.1
Epifanovsky, E.2
Krylov, A.I.3
-
31
-
-
84868554130
-
Transforming Anion Instability into Stability: Contrasting Photoionization of Three Protonation Forms of the Phosphate Ion upon Moving into Water
-
Pluharova, E.; Oncak, M.; Seidel, R.; Schroeder, C.; Schroeder, W.; Winter, B.; Bradforth, S. E.; Jungwirth, P.; Slavicek, P. Transforming Anion Instability into Stability: Contrasting Photoionization of Three Protonation Forms of the Phosphate Ion upon Moving into Water J. Phys. Chem. B 2012, 116, 13254-13264
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 13254-13264
-
-
Pluharova, E.1
Oncak, M.2
Seidel, R.3
Schroeder, C.4
Schroeder, W.5
Winter, B.6
Bradforth, S.E.7
Jungwirth, P.8
Slavicek, P.9
-
32
-
-
40549127108
-
Density Functionals with Broad Applicability in Chemistry
-
Zhao, Y.; Truhlar, D. G. Density Functionals with Broad Applicability in Chemistry Acc. Chem. Res. 2008, 41, 157-167
-
(2008)
Acc. Chem. Res.
, vol.41
, pp. 157-167
-
-
Zhao, Y.1
Truhlar, D.G.2
-
33
-
-
79953066009
-
Highly Oxidizing Excited States of One-Electron-Oxidized Guanine in DNA: Wavelength and pH Dependence
-
Khanduri, D.; Adhikary, A.; Sevilla, M. D. Highly Oxidizing Excited States of One-Electron-Oxidized Guanine in DNA: Wavelength and pH Dependence J. Am. Chem. Soc. 2011, 133, 4527-4537
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 4527-4537
-
-
Khanduri, D.1
Adhikary, A.2
Sevilla, M.D.3
-
34
-
-
73449105349
-
Tuned Range-Separated Hybrids in Density Functional Theory
-
Baer, R.; Livshits, E.; Salzner, U. Tuned Range-Separated Hybrids in Density Functional Theory Annu. Rev. Phys. Chem. 2010, 61, 85-109
-
(2010)
Annu. Rev. Phys. Chem.
, vol.61
, pp. 85-109
-
-
Baer, R.1
Livshits, E.2
Salzner, U.3
-
35
-
-
77952993585
-
The effect of Pi-stacking, H-bonding, and Electrostatic Interactions on the Ionization Energies of Nucleic Acid Bases: Adenine-Adenine, Thymine-Thymine and Adenine-Thymine Dimers
-
Bravaya, K. B.; Kostko, O.; Ahmed, M.; Krylov, A. I. The effect of Pi-stacking, H-bonding, and Electrostatic Interactions on the Ionization Energies of Nucleic Acid Bases: Adenine-Adenine, Thymine-Thymine and Adenine-Thymine Dimers Phys. Chem. Chem. Phys. 2010, 12, 2292-2307
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 2292-2307
-
-
Bravaya, K.B.1
Kostko, O.2
Ahmed, M.3
Krylov, A.I.4
-
36
-
-
33748357356
-
Ab initio Determination of the Ionization Potentials of DNA and RNA Nucleobases
-
Roca-Sanjuan, D.; Rubio, M.; Merchan, M.; Serrano-Andres, L. Ab initio Determination of the Ionization Potentials of DNA and RNA Nucleobases J. Chem. Phys. 2006, 125, 084302
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 084302
-
-
Roca-Sanjuan, D.1
Rubio, M.2
Merchan, M.3
Serrano-Andres, L.4
-
37
-
-
79961046698
-
First-Principles GW Calculations for DNA and RNA Nucleobases
-
Faber, C.; Attaccalite, C.; Olevano, V.; Runge, E.; Blase, X. First-Principles GW Calculations for DNA and RNA Nucleobases Phys. Rev. B 2011, 83, 115123
-
(2011)
Phys. Rev. B
, vol.83
, pp. 115123
-
-
Faber, C.1
Attaccalite, C.2
Olevano, V.3
Runge, E.4
Blase, X.5
-
38
-
-
0006579490
-
Ionization-Potentials and Donor Properties of Nucleic-Acid Bases and Related Compounds
-
Hush, N. S.; Cheung, A. S. Ionization-Potentials and Donor Properties of Nucleic-Acid Bases and Related Compounds Chem. Phys. Lett. 1975, 34, 11-13
-
(1975)
Chem. Phys. Lett.
, vol.34
, pp. 11-13
-
-
Hush, N.S.1
Cheung, A.S.2
-
39
-
-
44649202125
-
Modeling Hole Transfer in DNA: Low-lying Excited States of Oxidized Cytosine Homodimer and Cytosine-Adenine Heterodimer
-
Roca-Sanjuan, D.; Merchan, M.; Serrano-Andres, L. Modeling Hole Transfer in DNA: Low-lying Excited States of Oxidized Cytosine Homodimer and Cytosine-Adenine Heterodimer Chem. Phys. 2008, 349, 188-196
-
(2008)
Chem. Phys.
, vol.349
, pp. 188-196
-
-
Roca-Sanjuan, D.1
Merchan, M.2
Serrano-Andres, L.3
-
40
-
-
84878070466
-
Photoelectron Spectra of Some Important Biological Molecules: Symmetry-Adapted-Cluster Configuration Interaction Study
-
Farrokhpour, H.; Ghandehari, M. Photoelectron Spectra of Some Important Biological Molecules: Symmetry-Adapted-Cluster Configuration Interaction Study J. Phys. Chem. B 2013, 117, 6027-6041
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 6027-6041
-
-
Farrokhpour, H.1
Ghandehari, M.2
-
41
-
-
70349737558
-
Excited-State Spin-Contamination in Time-Dependent Density-Functional Theory for Molecules with Open-Shell Ground States
-
Ipatov, A.; Cordova, F.; Doriol, L. J.; Casida, M. E. Excited-State Spin-Contamination in Time-Dependent Density-Functional Theory for Molecules with Open-Shell Ground States J. Mol. Struct.: THEOCHEM 2009, 914, 60-73
-
(2009)
J. Mol. Struct.: THEOCHEM
, vol.914
, pp. 60-73
-
-
Ipatov, A.1
Cordova, F.2
Doriol, L.J.3
Casida, M.E.4
-
42
-
-
34548265505
-
Dependence of Spurious Charge-Transfer Excited States on Orbital Exchange in TDDFT: Large Molecules and Clusters
-
Magyar, R. J.; Tretiak, S. Dependence of Spurious Charge-Transfer Excited States on Orbital Exchange in TDDFT: Large Molecules and Clusters J. Chem. Theory Comput. 2007, 3, 976-987
-
(2007)
J. Chem. Theory Comput.
, vol.3
, pp. 976-987
-
-
Magyar, R.J.1
Tretiak, S.2
-
43
-
-
33750037607
-
Base and Phosphate Electron Detachment Energies of Deoxyribonucleotide Anions
-
Zakjevskii, V. V.; King, S. J.; Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. Base and Phosphate Electron Detachment Energies of Deoxyribonucleotide Anions J. Am. Chem. Soc. 2006, 128, 13350-13351
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 13350-13351
-
-
Zakjevskii, V.V.1
King, S.J.2
Dolgounitcheva, O.3
Zakrzewski, V.G.4
Ortiz, J.V.5
-
44
-
-
33746900402
-
Ab initio Study of the Ionization of the DNA Bases: Ionization Potentials and Excited States of the Cations
-
Cauet, E.; Dehareng, D.; Lievin, J. Ab initio Study of the Ionization of the DNA Bases: Ionization Potentials and Excited States of the Cations J. Phys. Chem. A 2006, 110, 9200-9211
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 9200-9211
-
-
Cauet, E.1
Dehareng, D.2
Lievin, J.3
-
45
-
-
36448999561
-
Analytic Energy Derivatives for Ionized States Described by the Equation-of-Motion Coupled-Cluster Method
-
Stanton, J. F.; Gauss, J. Analytic Energy Derivatives for Ionized States Described by the Equation-of-Motion Coupled-Cluster Method J. Chem. Phys. 1994, 101, 8938-8944
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 8938-8944
-
-
Stanton, J.F.1
Gauss, J.2
-
46
-
-
78649617504
-
Electronic Structure and Spectroscopy of Nucleic Acid Bases: Ionization Energies, Ionization-Induced Structural Changes, and Photoelectron Spectra
-
Bravaya, K. B.; Kostko, O.; Dolgikh, S.; Landau, A.; Ahmed, M.; Krylov, A. I. Electronic Structure and Spectroscopy of Nucleic Acid Bases: Ionization Energies, Ionization-Induced Structural Changes, and Photoelectron Spectra J. Phys. Chem. A 2010, 114, 12305-12317
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 12305-12317
-
-
Bravaya, K.B.1
Kostko, O.2
Dolgikh, S.3
Landau, A.4
Ahmed, M.5
Krylov, A.I.6
-
47
-
-
77249095373
-
Zooming into pi-Stacked Manifolds of Nucleobases: Ionized States of Dimethylated Uracil Dimers
-
Zadorozhnaya, A. A.; Krylov, A. I. Zooming into pi-Stacked Manifolds of Nucleobases: Ionized States of Dimethylated Uracil Dimers J. Phys. Chem. A 2010, 114, 2001-2009
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 2001-2009
-
-
Zadorozhnaya, A.A.1
Krylov, A.I.2
-
48
-
-
84907228251
-
Direct Measurement of the Dielectric Polarization Properties of DNA
-
Cuervo, A.; Dans, P. D.; Carrascosa, J. L.; Orozco, M.; Gomila, G.; Fumagalli, L. Direct Measurement of the Dielectric Polarization Properties of DNA Proc. Natl. Acad. Sci. U. S. A. 2014, 111, E3624-E3630
-
(2014)
Proc. Natl. Acad. Sci. U. S. A.
, vol.111
, pp. 3624-E3630
-
-
Cuervo, A.1
Dans, P.D.2
Carrascosa, J.L.3
Orozco, M.4
Gomila, G.5
Fumagalli, L.6
-
49
-
-
27544454100
-
The Influence of Microhydration on the Ionization Energy Thresholds of Uracil and Thymine
-
Close, D. M.; Crespo-Hernandez, C. E.; Gorb, L.; Leszczynski, J. The Influence of Microhydration on the Ionization Energy Thresholds of Uracil and Thymine J. Phys. Chem. A 2005, 109, 9279-9283
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 9279-9283
-
-
Close, D.M.1
Crespo-Hernandez, C.E.2
Gorb, L.3
Leszczynski, J.4
-
50
-
-
46749124345
-
Theoretical Elucidation of Conflicting Experimental Data on Vertical Ionization Potentials of Microhydrated Thymine
-
Close, D. M.; Crespo-Hernandez, C. E.; Gorb, L.; Leszczynski, J. Theoretical Elucidation of Conflicting Experimental Data on Vertical Ionization Potentials of Microhydrated Thymine J. Phys. Chem. A 2008, 112, 4405-4409
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 4405-4409
-
-
Close, D.M.1
Crespo-Hernandez, C.E.2
Gorb, L.3
Leszczynski, J.4
-
51
-
-
58149252275
-
Ionization Energy Thresholds of Microhydrated Adenine and Its Tautomers
-
Close, D. M.; Crespo-Hernandez, C. E.; Gorb, L.; Leszczynski, J. Ionization Energy Thresholds of Microhydrated Adenine and Its Tautomers J. Phys. Chem. A 2008, 112, 12702-12706
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 12702-12706
-
-
Close, D.M.1
Crespo-Hernandez, C.E.2
Gorb, L.3
Leszczynski, J.4
-
52
-
-
5244342049
-
Ab-Initio Molecular-Orbital Calculations an DNA Radical Ions 0.4. Effect of Hydration an Electron-Affinities and Ionization-Potentials of Base-Pairs
-
Colson, A. O.; Besler, B.; Sevilla, M. D. Ab-Initio Molecular-Orbital Calculations an DNA Radical Ions 0.4. Effect of Hydration an Electron-Affinities and Ionization-Potentials of Base-Pairs J. Phys. Chem. 1993, 97, 13852-13859
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 13852-13859
-
-
Colson, A.O.1
Besler, B.2
Sevilla, M.D.3
-
53
-
-
79960193289
-
The Effect of Microhydration on Ionization Energies of Thymine
-
Khistyaev, K.; Bravaya, K. B.; Kamarchik, E.; Kostko, O.; Ahmed, M.; Krylov, A. I. The Effect of Microhydration on Ionization Energies of Thymine Faraday Discuss. 2011, 150, 313-330
-
(2011)
Faraday Discuss.
, vol.150
, pp. 313-330
-
-
Khistyaev, K.1
Bravaya, K.B.2
Kamarchik, E.3
Kostko, O.4
Ahmed, M.5
Krylov, A.I.6
-
54
-
-
79959562988
-
Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk
-
Ghosh, D.; Isayev, O.; Slipchenko, L. V.; Krylov, A. I. Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk J. Phys. Chem. A 2011, 115, 6028-6038
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 6028-6038
-
-
Ghosh, D.1
Isayev, O.2
Slipchenko, L.V.3
Krylov, A.I.4
-
55
-
-
84862678566
-
First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate
-
Ghosh, D.; Roy, A.; Seidel, R.; Winter, B.; Bradforth, S.; Krylov, A. I. First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate J. Phys. Chem. B 2012, 116, 7269-7280
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 7269-7280
-
-
Ghosh, D.1
Roy, A.2
Seidel, R.3
Winter, B.4
Bradforth, S.5
Krylov, A.I.6
-
56
-
-
84961980477
-
Quantum Mechanical Continuum Solvation Models
-
Tomasi, J.; Mennucci, B.; Cammi, R. Quantum Mechanical Continuum Solvation Models Chem. Rev. 2005, 105, 2999-3093
-
(2005)
Chem. Rev.
, vol.105
, pp. 2999-3093
-
-
Tomasi, J.1
Mennucci, B.2
Cammi, R.3
-
57
-
-
9944265840
-
Calculation of the Ionization Potentials of the DNA Bases in Aqueous Medium
-
Close, D. M. Calculation of the Ionization Potentials of the DNA Bases in Aqueous Medium J. Phys. Chem. A 2004, 108, 10376-10379
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 10376-10379
-
-
Close, D.M.1
-
58
-
-
84962433238
-
Ab Initio Ionization Energy Thresholds of DNA and RNA Bases in Gas Phase and in Aqueous Solution
-
Crespo-Hernandez, C. E.; Arce, R.; Ishikawa, Y.; Gorb, L.; Leszczynski, J.; Close, D. M. Ab Initio Ionization Energy Thresholds of DNA and RNA Bases in Gas Phase and in Aqueous Solution J. Phys. Chem. A 2004, 108, 6373-6377
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 6373-6377
-
-
Crespo-Hernandez, C.E.1
Arce, R.2
Ishikawa, Y.3
Gorb, L.4
Leszczynski, J.5
Close, D.M.6
-
59
-
-
84962408725
-
Excited States and Solvatochromic Shifts within a Nonequilibrium Solvation Approach: A new Formulation of the Integral Equation Formalism Method at the Self-Consistent Field, Configuration Interaction, and Multiconfiguration Self-Consistent Field level
-
Mennucci, B.; Cammi, R.; Tomasi, J. Excited States and Solvatochromic Shifts within a Nonequilibrium Solvation Approach: A new Formulation of the Integral Equation Formalism Method at the Self-Consistent Field, Configuration Interaction, and Multiconfiguration Self-Consistent Field level J. Chem. Phys. 1998, 109, 2798-2807
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 2798-2807
-
-
Mennucci, B.1
Cammi, R.2
Tomasi, J.3
-
60
-
-
53349110074
-
Ionization of Aqueous Cations: Photoelectron Spectroscopy and Ab Initio Calculations of Protonated Imidazole
-
Jagoda-Cwiklik, B.; Slavicek, P.; Nolting, D.; Winter, B.; Jungwirth, P. Ionization of Aqueous Cations: Photoelectron Spectroscopy and Ab Initio Calculations of Protonated Imidazole J. Phys. Chem. B 2008, 112, 7355-7358
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 7355-7358
-
-
Jagoda-Cwiklik, B.1
Slavicek, P.2
Nolting, D.3
Winter, B.4
Jungwirth, P.5
-
61
-
-
0034319625
-
Separation between Fast and Slow Polarizations in Continuum Solvation Models
-
Cossi, M.; Barone, V. Separation Between Fast and Slow Polarizations in Continuum Solvation Models J. Phys. Chem. A 2000, 104, 10614-10622
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 10614-10622
-
-
Cossi, M.1
Barone, V.2
-
62
-
-
79960789692
-
Simulations of Photoemission and Equilibrium Redox Processes of Ionic Liquids: The Role of Ion Pairing and Long-Range Polarization
-
Sistik, L.; Oncak, M.; Slavicek, P. Simulations of Photoemission and Equilibrium Redox Processes of Ionic Liquids: The Role of Ion Pairing and Long-Range Polarization Phys. Chem. Chem. Phys. 2011, 13, 11998-12007
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 11998-12007
-
-
Sistik, L.1
Oncak, M.2
Slavicek, P.3
-
63
-
-
84870878173
-
Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid Bases
-
Psciuk, B. T.; Lord, R. L.; Munk, B. H.; Schlegel, H. B. Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid Bases J. Chem. Theory Comput. 2012, 8, 5107-5123
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 5107-5123
-
-
Psciuk, B.T.1
Lord, R.L.2
Munk, B.H.3
Schlegel, H.B.4
-
64
-
-
34249787352
-
Determination of Redox Potentials for the Watson-Crick Base Pairs, DNA Nucleosides, and Relevant Nucleoside Analogues
-
Crespo-Hernandez, C. E.; Close, D. M.; Gorb, L.; Leszczynski, J. Determination of Redox Potentials for the Watson-Crick Base Pairs, DNA Nucleosides, and Relevant Nucleoside Analogues J. Phys. Chem. B 2007, 111, 5386-5395
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 5386-5395
-
-
Crespo-Hernandez, C.E.1
Close, D.M.2
Gorb, L.3
Leszczynski, J.4
-
65
-
-
84961979102
-
Theoretical Determination of One-Electron Redox Potentials for DNA Bases, Base Pairs, and Stacks
-
Paukku, Y.; Hill, G. 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
-
66
-
-
84982207902
-
Computational electrochemistry: Prediction of liquid-phase reduction potentials
-
Marenich, A. V.; Ho, J.; Coote, M. L.; Cramer, C. J.; Truhlar, D. G. Computational electrochemistry: prediction of liquid-phase reduction potentials Phys. Chem. Chem. Phys. 2014, 16, 15068-15106
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 15068-15106
-
-
Marenich, A.V.1
Ho, J.2
Coote, M.L.3
Cramer, C.J.4
Truhlar, D.G.5
-
67
-
-
84858130853
-
First-principles prediction of acidities in the gas and solution phase
-
Ho, J.; Coote, M. L. First-principles prediction of acidities in the gas and solution phase Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2011, 1, 649-660
-
(2011)
Wiley Interdiscip. Rev.: Comput. Mol. Sci.
, vol.1
, pp. 649-660
-
-
Ho, J.1
Coote, M.L.2
-
68
-
-
84919800657
-
Are thermodynamic cycles necessary for continuum solvent calculation of pK(a)s and reduction potentials?
-
Ho, J. Are thermodynamic cycles necessary for continuum solvent calculation of pK(a)s and reduction potentials? Phys. Chem. Chem. Phys. 2015, 17, 2859-2868
-
(2015)
Phys. Chem. Chem. Phys.
, vol.17
, pp. 2859-2868
-
-
Ho, J.1
-
69
-
-
47249122135
-
A Universal Approach to Solvation Modeling
-
Cramer, C. J.; Truhlar, D. G. A Universal Approach to Solvation Modeling Acc. Chem. Res. 2008, 41, 760-768
-
(2008)
Acc. Chem. Res.
, vol.41
, pp. 760-768
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
70
-
-
84930676103
-
Calculations of p K as and Redox Potentials of Nucleobases with Explicit Waters and Polarizable Continuum Solvation
-
Thapa, B.; Schlegel, H. B. Calculations of p K as and Redox Potentials of Nucleobases with Explicit Waters and Polarizable Continuum Solvation J. Phys. Chem. A 2014, 10.1021/jp5088866
-
(2014)
J. Phys. Chem. A
-
-
Thapa, B.1
Schlegel, H.B.2
-
71
-
-
33750037607
-
Base and Phosphate Electron Detachment Energies of Deoxyribonucleotide Anions
-
Zakjevskii, V. V.; King, S. J.; Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. Base and Phosphate Electron Detachment Energies of Deoxyribonucleotide Anions J. Am. Chem. Soc. 2006, 128, 13350-13351
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 13350-13351
-
-
Zakjevskii, V.V.1
King, S.J.2
Dolgounitcheva, O.3
Zakrzewski, V.G.4
Ortiz, J.V.5
-
72
-
-
0037434797
-
Ionization Energies and Dyson Orbitals of Cytosine and 1-Methylcytosine
-
Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. Ionization Energies and Dyson Orbitals of Cytosine and 1-Methylcytosine J. Phys. Chem. A 2003, 107, 822-828
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 822-828
-
-
Dolgounitcheva, O.1
Zakrzewski, V.G.2
Ortiz, J.V.3
-
73
-
-
0037104792
-
Theoretical calculation of p K a using the cluster-continuum model
-
Pliego, J. R.; Riveros, J. M. Theoretical calculation of p K a using the cluster-continuum model J. Phys. Chem. A 2002, 106, 7434-7439
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 7434-7439
-
-
Pliego, J.R.1
Riveros, J.M.2
-
74
-
-
33644922365
-
Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants
-
Kelly, C. P.; Cramer, C. J.; Truhlar, D. G. Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants J. Phys. Chem. A 2006, 110, 2493-2499
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 2493-2499
-
-
Kelly, C.P.1
Cramer, C.J.2
Truhlar, D.G.3
-
75
-
-
73949145040
-
A universal approach for continuum solvent p K a calculations: Are we there yet?
-
Ho, J.; Coote, M. L. A universal approach for continuum solvent p K a calculations: Are we there yet? Theor. Chem. Acc. 2010, 125, 3-21
-
(2010)
Theor. Chem. Acc.
, vol.125
, pp. 3-21
-
-
Ho, J.1
Coote, M.L.2
-
76
-
-
77955160481
-
Tautomeric Forms of Adenine: Vertical Ionization Energies and Dyson Orbitals
-
Singh, R. K.; Ortiz, J. V.; Mishra, M. K. Tautomeric Forms of Adenine: Vertical Ionization Energies and Dyson Orbitals Int. J. Quantum Chem. 2010, 110, 1901-1915
-
(2010)
Int. J. Quantum Chem.
, vol.110
, pp. 1901-1915
-
-
Singh, R.K.1
Ortiz, J.V.2
Mishra, M.K.3
-
77
-
-
4444384571
-
Development of Density Functionals for Thermochemical Kinetics
-
Boese, A. D.; Martin, J. M. L. Development of Density Functionals for Thermochemical Kinetics J. Chem. Phys. 2004, 121, 3405-3416
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 3405-3416
-
-
Boese, A.D.1
Martin, J.M.L.2
-
78
-
-
84921038760
-
Oxidation Half-Reaction of Aqueous Nucleosides and Nucleotides via Photoelectron Spectroscopy Augmented by Ab Initio Calculations
-
Schroeder, C. A.; Pluharova, E.; Seidel, R.; Schroder, W. P.; M, F.; Slavicek, P.; Winter, B.; Jungwirth, P.; Bradforth, S. E. Oxidation Half-Reaction of Aqueous Nucleosides and Nucleotides via Photoelectron Spectroscopy Augmented by Ab Initio Calculations J. Am. Chem. Soc. 2015, 137, 201-209
-
(2015)
J. Am. Chem. Soc.
, vol.137
, pp. 201-209
-
-
Schroeder, C.A.1
Pluharova, E.2
Seidel, R.3
Schroder, W.P.F.M.4
Slavicek, P.5
Winter, B.6
Jungwirth, P.7
Bradforth, S.E.8
-
79
-
-
66349120487
-
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
-
Marenich, A. V.; Cramer, C. J.; Truhlar, D. G. Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions J. Phys. Chem. B 2009, 113, 6378-6396
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 6378-6396
-
-
Marenich, A.V.1
Cramer, C.J.2
Truhlar, D.G.3
-
80
-
-
66249129270
-
On the Performance of Continuum Solvation Methods. A Comment on "universal Approaches to Solvation Modeling"
-
Klamt, A.; Mennucci, B.; Tomasi, J.; Barone, V.; Curutchet, C.; Orozco, M.; Luque, F. J. On the Performance of Continuum Solvation Methods. A Comment on "Universal Approaches to Solvation Modeling" Acc. Chem. Res. 2009, 42, 489-492
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 489-492
-
-
Klamt, A.1
Mennucci, B.2
Tomasi, J.3
Barone, V.4
Curutchet, C.5
Orozco, M.6
Luque, F.J.7
-
81
-
-
0035892184
-
Experimental and Theoretical Investigations of the Stability, Energetics, and Structures, of H2PO4-, H2P2O72-, and H3P3O102- in the gas phase
-
Wang, X. B.; Vorpagel, E. R.; Yang, X.; Wang, L. S. Experimental and Theoretical Investigations of the Stability, Energetics, and Structures, of H2PO4-, H2P2O72-, and H3P3O102- in the gas phase J. Phys. Chem. A 2001, 105, 10468-10474
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 10468-10474
-
-
Wang, X.B.1
Vorpagel, E.R.2
Yang, X.3
Wang, L.S.4
-
82
-
-
84915764488
-
DNA Lesion Can Facilitate Base Ionization: Vertical Ionization Energies of Aqueous 8-Oxoguanine and its Nucleoside and Nucleotide
-
Palivec, V.; Pluharova, E.; Unger, I.; Winter, B.; Jungwirth, P. DNA Lesion Can Facilitate Base Ionization: Vertical Ionization Energies of Aqueous 8-Oxoguanine and its Nucleoside and Nucleotide J. Phys. Chem. B 2014, 118, 13833-13837
-
(2014)
J. Phys. Chem. B
, vol.118
, pp. 13833-13837
-
-
Palivec, V.1
Pluharova, E.2
Unger, I.3
Winter, B.4
Jungwirth, P.5
-
83
-
-
77951875027
-
Vertical Ionization Potentials of Nucleobases in a Fully Solvated DNA Environment
-
Cauet, E.; Valiev, M.; Weare, J. H. Vertical Ionization Potentials of Nucleobases in a Fully Solvated DNA Environment J. Phys. Chem. B 2010, 114, 5886-5894
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 5886-5894
-
-
Cauet, E.1
Valiev, M.2
Weare, J.H.3
-
84
-
-
0034608901
-
The NMR Structure of a DNA Dodecamer in an Aqueous Dilute Liquid Crystalline Phase
-
Tjandra, N.; Tate, S.; Ono, A.; Kainosho, M.; Bax, A. The NMR Structure of a DNA Dodecamer in an Aqueous Dilute Liquid Crystalline Phase J. Am. Chem. Soc. 2000, 122, 6190-6200
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 6190-6200
-
-
Tjandra, N.1
Tate, S.2
Ono, A.3
Kainosho, M.4
Bax, A.5
-
85
-
-
0037044075
-
Low-Energy, Low-Yield Photoionization, and Production of 8-Oxo-2′-deoxyguanosine and Guanine from 2′-Deoxyguanosine
-
Papadantonakis, G. A.; Tranter, R.; Brezinsky, K.; Yang, Y. N.; van Breemen, R. B.; LeBreton, P. R. Low-Energy, Low-Yield Photoionization, and Production of 8-Oxo-2′-deoxyguanosine and Guanine from 2′-Deoxyguanosine J. Phys. Chem. B 2002, 106, 7704-7712
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 7704-7712
-
-
Papadantonakis, G.A.1
Tranter, R.2
Brezinsky, K.3
Yang, Y.N.4
Van Breemen, R.B.5
Lebreton, P.R.6
-
86
-
-
2342477759
-
Ultrafast Excited-State Dynamics in Nucleic Acids
-
Crespo-Hernandez, C. E.; Cohen, B.; Hare, P. M.; Kohler, B. Ultrafast Excited-State Dynamics in Nucleic Acids Chem. Rev. 2004, 104, 1977-2020
-
(2004)
Chem. Rev.
, vol.104
, pp. 1977-2020
-
-
Crespo-Hernandez, C.E.1
Cohen, B.2
Hare, P.M.3
Kohler, B.4
|