-
1
-
-
2342477759
-
Ultrafast Excited-State Dynamics in Nucleic Acids
-
Crespo-Hernández, C. E.; Cohen, B.; Hare, P. M.; Kohler, B. Ultrafast Excited-State Dynamics in Nucleic Acids Chem. Rev. 2004, 104, 1977-2019
-
(2004)
Chem. Rev.
, vol.104
, pp. 1977-2019
-
-
Crespo-Hernández, C.E.1
Cohen, B.2
Hare, P.M.3
Kohler, B.4
-
2
-
-
62849101535
-
Are the Five Natural DNA/RNA Base Monomers a Good Choice from Natural Selection?
-
Serrano-Andrés, L.; Merchán, M. Are the Five Natural DNA/RNA Base Monomers a Good Choice From Natural Selection? J. Photochem. Photobiol., C 2009, 10, 21-32
-
(2009)
J. Photochem. Photobiol., C
, vol.10
, pp. 21-32
-
-
Serrano-Andrés, L.1
Merchán, M.2
-
3
-
-
79953752974
-
Nonadiabatic Events and Conical Intersections
-
Matsika, S.; Krause, P. Nonadiabatic Events and Conical Intersections Annu. Rev. Phys. Chem. 2011, 62, 621-643
-
(2011)
Annu. Rev. Phys. Chem.
, vol.62
, pp. 621-643
-
-
Matsika, S.1
Krause, P.2
-
4
-
-
78650725840
-
Relaxation Mechanisms of UV-Photoexcited DNA and RNA Nucleobases
-
Barbatti, M.; Aquino, A. J.; Szymczak, J. J.; Nachtigallová, D.; Hobza, P.; Lischka, H. Relaxation Mechanisms of UV-Photoexcited DNA and RNA Nucleobases Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 21453-21458
-
(2010)
Proc. Natl. Acad. Sci. U.S.A.
, vol.107
, pp. 21453-21458
-
-
Barbatti, M.1
Aquino, A.J.2
Szymczak, J.J.3
Nachtigallová, D.4
Hobza, P.5
Lischka, H.6
-
5
-
-
64549150256
-
DNA Excited-State Dynamics: From Single Bases to the Double Helix
-
Middleton, C. T.; de La Harpe, K.; Su, C.; Law, Y. K.; Crespo-Hernández, C. E.; Kohler, B. DNA Excited-State Dynamics: from Single Bases to the Double Helix Annu. Rev. Phys. Chem. 2009, 60, 217-239
-
(2009)
Annu. Rev. Phys. Chem.
, vol.60
, pp. 217-239
-
-
Middleton, C.T.1
De La Harpe, K.2
Su, C.3
Law, Y.K.4
Crespo-Hernández, C.E.5
Kohler, B.6
-
6
-
-
0037032198
-
Intrinsic Lifetimes of the Excited State of DNA and RNA Bases
-
Kang, H.; Lee, K. T.; Jung, B.; Ko, Y. J.; Kim, S. K. Intrinsic Lifetimes of the Excited State of DNA and RNA Bases J. Am. Chem. Soc. 2002, 124, 12958-12959
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 12958-12959
-
-
Kang, H.1
Lee, K.T.2
Jung, B.3
Ko, Y.J.4
Kim, S.K.5
-
7
-
-
22944478333
-
Excited States Dynamics of DNA and RNA Bases: Characterization of a Stepwise Deactivation Pathway in the Gas Phase
-
Canuel, C.; Mons, M.; Piuzzi, F.; Tardivel, B.; Dimicoli, I.; Elhanine, M. Excited States Dynamics of DNA and RNA Bases: Characterization of a Stepwise Deactivation Pathway in the Gas Phase J. Chem. Phys. 2005, 122, 074316
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 074316
-
-
Canuel, C.1
Mons, M.2
Piuzzi, F.3
Tardivel, B.4
Dimicoli, I.5
Elhanine, M.6
-
8
-
-
3042658494
-
Electronic Relaxation Dynamics in DNA and RNA Bases Studied by Time-resolved Photoelectron Spectroscopy
-
Ullrich, S.; Schultz, T.; Zgierski, M. Z.; Stolow, A. Electronic Relaxation Dynamics in DNA and RNA Bases Studied by Time-resolved Photoelectron Spectroscopy Phys. Chem. Chem. Phys. 2004, 6, 2796-2801
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 2796-2801
-
-
Ullrich, S.1
Schultz, T.2
Zgierski, M.Z.3
Stolow, A.4
-
9
-
-
80052331128
-
Distinguishing between Relaxation Pathways by Combining Dissociative Ionization Pump Probe Spectroscopy and ab Initio Calculations: A Case Study of Cytosine
-
Kotur, M.; Weinacht, T. C.; Zhou, C.; Kistler, K. A.; Matsika, S. Distinguishing Between Relaxation Pathways by Combining Dissociative Ionization Pump Probe Spectroscopy and ab Initio Calculations: a Case Study of Cytosine J. Chem. Phys. 2011, 134, 184309
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 184309
-
-
Kotur, M.1
Weinacht, T.C.2
Zhou, C.3
Kistler, K.A.4
Matsika, S.5
-
10
-
-
79960929556
-
Disentangling Intrinsic Ultrafast Excited-State Dynamics of Cytosine Tautomers
-
Ho, J.-W.; Yen, H.-C.; Chou, W.-K.; Weng, C.-N.; Cheng, L.-H.; Shi, H.-Q.; Lai, S.-H.; Cheng, P.-Y. Disentangling Intrinsic Ultrafast Excited-State Dynamics of Cytosine Tautomers J. Phys. Chem. A 2011, 115, 8406-8418
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 8406-8418
-
-
Ho, J.-W.1
Yen, H.-C.2
Chou, W.-K.3
Weng, C.-N.4
Cheng, L.-H.5
Shi, H.-Q.6
Lai, S.-H.7
Cheng, P.-Y.8
-
11
-
-
70450175373
-
Excited-State Dynamics of Cytosine Tautomers
-
Kosma, K.; Schröter, C.; Samoylova, E.; Hertel, I. V.; Schultz, T. Excited-State Dynamics of Cytosine Tautomers J. Am. Chem. Soc. 2009, 131, 16939-16943
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 16939-16943
-
-
Kosma, K.1
Schröter, C.2
Samoylova, E.3
Hertel, I.V.4
Schultz, T.5
-
12
-
-
0037170886
-
REMPI Spectroscopy of Cytosine
-
Nir, E.; Müller, M.; Grace, L. I.; de Vries, M. S. REMPI Spectroscopy of Cytosine Chem. Phys. Lett. 2002, 355, 59-64
-
(2002)
Chem. Phys. Lett.
, vol.355
, pp. 59-64
-
-
Nir, E.1
Müller, M.2
Grace, L.I.3
De Vries, M.S.4
-
13
-
-
0242659985
-
The Nucleobase Cytosine and the Cytosine Dimer Investigated by Double Resonance Laser Spectroscopy and ab Initio Calculations
-
Nir, E.; Hünig, I.; Kleinermanns, K.; de Vries, M. S. The Nucleobase Cytosine and the Cytosine Dimer Investigated by Double Resonance Laser Spectroscopy and ab Initio Calculations Phys. Chem. Chem. Phys. 2003, 5, 4780-4785
-
(2003)
Phys. Chem. Chem. Phys.
, vol.5
, pp. 4780-4785
-
-
Nir, E.1
Hünig, I.2
Kleinermanns, K.3
De Vries, M.S.4
-
15
-
-
79955617117
-
Five Isomers of Monomeric Cytosine and Their Interconversions Induced by Tunable UV Laser Light
-
Lapinski, L.; Reva, I.; Nowak, M. J.; Fausto, R. Five Isomers of Monomeric Cytosine and Their Interconversions Induced by Tunable UV Laser Light Phys. Chem. Chem. Phys. 2011, 13, 9676-9684
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 9676-9684
-
-
Lapinski, L.1
Reva, I.2
Nowak, M.J.3
Fausto, R.4
-
16
-
-
34648833631
-
Cytosine Neutral Molecules and Cation-Radicals in the Gas-phase
-
Wolken, J. K.; Yao, C.; Tureček, F.; Polce, M. J.; Wesdemiotis, C. Cytosine Neutral Molecules and Cation-Radicals in the Gas-phase Int. J. Mass Spectrom. 2007, 267, 30-42
-
(2007)
Int. J. Mass Spectrom.
, vol.267
, pp. 30-42
-
-
Wolken, J.K.1
Yao, C.2
Tureček, F.3
Polce, M.J.4
Wesdemiotis, C.5
-
17
-
-
84962432615
-
Correlated ab Initio Study of Nucleic Acid Bases and Their Tautomers in the Gas Phase, in a Microhydrated Environment and in Aqueous Solution Part 1. Cytosine
-
Trygubenko, S. A.; Bogdan, T. V.; Rueda, M.; Orozco, M.; Luque, F. J.; Šponer, J.; Slavíček, P.; Hobza, P. Correlated ab Initio Study of Nucleic Acid Bases and Their Tautomers in the Gas Phase, in a Microhydrated Environment and in Aqueous Solution Part 1. Cytosine Phys. Chem. Chem. Phys. 2002, 4, 4192-4203
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 4192-4203
-
-
Trygubenko, S.A.1
Bogdan, T.V.2
Rueda, M.3
Orozco, M.4
Luque, F.J.5
Šponer, J.6
Slavíček, P.7
Hobza, P.8
-
18
-
-
66149134451
-
Tautomerism in Cytosine and Uracil: An Experimental and Theoretical Core Level Spectroscopic Study
-
Feyer, V.; Plekan, O.; Richter, R.; Coreno, M.; Vall-llosera, G.; Prince, K. C.; Trofimov, A. B.; Zaytseva, I. L.; Moskovskaya, T. E.; Gromov, E. V. Tautomerism in Cytosine and Uracil: an Experimental and Theoretical Core Level Spectroscopic Study J. Phys. Chem. A 2009, 113, 5736-5742
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 5736-5742
-
-
Feyer, V.1
Plekan, O.2
Richter, R.3
Coreno, M.4
Vall-Llosera, G.5
Prince, K.C.6
Trofimov, A.B.7
Zaytseva, I.L.8
Moskovskaya, T.E.9
Gromov, E.V.10
-
19
-
-
0001386146
-
Experimental and Theoretical Studies of Molecular Structure Features of Cytosine
-
Radchenko, E. D.; Sheina, G. G.; Smorygo, N. A.; Blagoi, Y. P. Experimental and Theoretical Studies of Molecular Structure Features of Cytosine J. Mol. Struct. 1984, 116, 387-396
-
(1984)
J. Mol. Struct.
, vol.116
, pp. 387-396
-
-
Radchenko, E.D.1
Sheina, G.G.2
Smorygo, N.A.3
Blagoi, Y.P.4
-
20
-
-
79953303265
-
Tautomers of Cytosine and Their Excited Electronic States: A Matrix Isolation Spectroscopic and Quantum Chemical Study
-
Bazsó, G.; Tarczay, G.; Fogarasi, G.; Szalay, P. G. Tautomers of Cytosine and Their Excited Electronic States: a Matrix Isolation Spectroscopic and Quantum Chemical Study Phys. Chem. Chem. Phys. 2011, 13, 6799-6807
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 6799-6807
-
-
Bazsó, G.1
Tarczay, G.2
Fogarasi, G.3
Szalay, P.G.4
-
21
-
-
84961979214
-
A CCSD(T) Study of the Relative Stabilities of Cytosine Tautomers
-
Kobayashi, R. A CCSD(T) Study of the Relative Stabilities of Cytosine Tautomers J. Phys. Chem. A 1998, 102, 10813-10817
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 10813-10817
-
-
Kobayashi, R.1
-
22
-
-
0030731143
-
High-Level Electron Correlation Calculations on Some Tautomers of Cytosine
-
Fogarasi, G. High-Level Electron Correlation Calculations on Some Tautomers of Cytosine J. Mol. Struct. 1997, 414, 271-278
-
(1997)
J. Mol. Struct.
, vol.414
, pp. 271-278
-
-
Fogarasi, G.1
-
23
-
-
67650066671
-
Reinterpretation of the UV Spectrum of Cytosine: Only Two Electronic Transitions?
-
Tajti, A.; Fogarasi, G.; Szalay, P. G. Reinterpretation of the UV Spectrum of Cytosine: Only Two Electronic Transitions? ChemPhysChem 2009, 10, 1603-1606
-
(2009)
ChemPhysChem
, vol.10
, pp. 1603-1606
-
-
Tajti, A.1
Fogarasi, G.2
Szalay, P.G.3
-
24
-
-
25844448817
-
Quantum Chemical Investigation of the Electronic Spectra of the Keto, Enol, and Keto-Imine Tautomers of Cytosine
-
Tomić, K.; Tatchen, J.; Marian, C. M. Quantum Chemical Investigation of the Electronic Spectra of the Keto, Enol, and Keto-Imine Tautomers of Cytosine J. Phys. Chem. A 2005, 109, 8410-8418
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 8410-8418
-
-
Tomić, K.1
Tatchen, J.2
Marian, C.M.3
-
25
-
-
0038155145
-
Ultrafast Internal Conversion of Excited Cytosine via the Lowest ππ * Electronic Singlet State
-
Merchán, M.; Serrano-Andrés, L. Ultrafast Internal Conversion of Excited Cytosine via the Lowest ππ * Electronic Singlet State J. Am. Chem. Soc. 2003, 125, 8108-8109
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 8108-8109
-
-
Merchán, M.1
Serrano-Andrés, L.2
-
26
-
-
0037134912
-
O,π* State Switch
-
O,π* State Switch J. Am. Chem. Soc. 2002, 124, 6818-6819
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 6818-6819
-
-
Ismail, N.1
Blancafort, L.2
Olivucci, M.3
Kohler, B.4
Robb, M.A.5
-
27
-
-
33846341069
-
Unified Model for the Ultrafast Decay of Pyrimidine Nucleobases
-
Merchán, M.; Gonzalez-Luque, R.; Climent, T.; Serrano- Andrés, L.; Rodriuguez, E.; Reguero, M.; Pelaez, D. Unified Model for the Ultrafast Decay of Pyrimidine Nucleobases J. Phys. Chem. B 2006, 110, 26471-26476
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 26471-26476
-
-
Merchán, M.1
Gonzalez-Luque, R.2
Climent, T.3
Serrano-Andrés, L.4
Rodriuguez, E.5
Reguero, M.6
Pelaez, D.7
-
28
-
-
34248149537
-
Radiationless Decay Mechanism of Cytosine: An ab Initio Study with Comparisons to the Fluorescent Analogue 5-Methyl-2-pyrimidinone
-
Kistler, K. A.; Matsika, S. Radiationless Decay Mechanism of Cytosine: an ab Initio Study with Comparisons to the Fluorescent Analogue 5-Methyl-2-pyrimidinone J. Phys. Chem. A 2007, 111, 2650-2661
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 2650-2661
-
-
Kistler, K.A.1
Matsika, S.2
-
29
-
-
57349136711
-
Excited-State Dynamics of Cytosine Reveal Multiple Intrinsic Subpicosecond Pathways
-
Hudock, H. R.; Martnez, T. J. Excited-State Dynamics of Cytosine Reveal Multiple Intrinsic Subpicosecond Pathways ChemPhysChem 2008, 9, 2486-2490
-
(2008)
ChemPhysChem
, vol.9
, pp. 2486-2490
-
-
Hudock, H.R.1
Martnez, T.J.2
-
30
-
-
44849141095
-
Three-State Conical Intersections in Cytosine and Pyrimidinone Bases
-
Kistler, K. A.; Matsika, S. Three-State Conical Intersections in Cytosine and Pyrimidinone Bases J. Chem. Phys. 2008, 128, 215102
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 215102
-
-
Kistler, K.A.1
Matsika, S.2
-
31
-
-
34249820742
-
Energetics of Cytosine Singlet Excited-State Decay Paths: A Difficult Case for CASSCF and CASPT2
-
Blancafort, L. Energetics of Cytosine Singlet Excited-State Decay Paths: A Difficult Case for CASSCF and CASPT2 Photochem. Photobiol. 2007, 83, 603-610
-
(2007)
Photochem. Photobiol.
, vol.83
, pp. 603-610
-
-
Blancafort, L.1
-
32
-
-
10044252181
-
Key Role of a Threefold State Crossing in the Ultrafast Decay of Electronically Excited Cytosine
-
Blancafort, L.; Robb, M. A. Key Role of a Threefold State Crossing in the Ultrafast Decay of Electronically Excited Cytosine J. Phys. Chem. A 2004, 108, 10609-10614
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 10609-10614
-
-
Blancafort, L.1
Robb, M.A.2
-
33
-
-
78649655206
-
A Time-Dependent Picture of the Ultrafast Deactivation of Keto-Cytosine Including Three-State Conical Intersections
-
González-Vázquez, J.; González, L. A Time-Dependent Picture of the Ultrafast Deactivation of Keto-Cytosine Including Three-State Conical Intersections ChemPhysChem 2010, 11, 3617-3624
-
(2010)
ChemPhysChem
, vol.11
, pp. 3617-3624
-
-
González-Vázquez, J.1
González, L.2
-
34
-
-
65249092052
-
Photoinduced Nonadiabatic Dynamics of Pyrimidine Nucleobases: On-the-Fly Surface-Hopping Study with Semiempirical Methods
-
Lan, Z.; Fabiano, E.; Thiel, W. Photoinduced Nonadiabatic Dynamics of Pyrimidine Nucleobases: On-the-Fly Surface-Hopping Study with Semiempirical Methods J. Phys. Chem. B 2009, 113, 3548-3555
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 3548-3555
-
-
Lan, Z.1
Fabiano, E.2
Thiel, W.3
-
35
-
-
79952720281
-
Photodynamical Simulations of Cytosine: Characterization of the Ultrafast Bi-Exponential UV Deactivation
-
Barbatti, M.; Aquino, A. J. A.; Szymczak, J. J.; Nachtigallová, D.; Lischka, H. Photodynamical Simulations of Cytosine: Characterization of the Ultrafast Bi-Exponential UV Deactivation Phys. Chem. Chem. Phys. 2011, 13, 6145-6155
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 6145-6155
-
-
Barbatti, M.1
Aquino, A.J.A.2
Szymczak, J.J.3
Nachtigallová, D.4
Lischka, H.5
-
36
-
-
84868152523
-
Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine
-
Richter, M.; Marquetand, P.; González-Vázquez, J.; Sola, I.; González, L. Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine J. Phys. Chem. Lett. 2012, 3, 3090-3095
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 3090-3095
-
-
Richter, M.1
Marquetand, P.2
González-Vázquez, J.3
Sola, I.4
González, L.5
-
37
-
-
13644275557
-
Triplet-State Formation along the Ultrafast Decay of Excited Singlet Cytosine
-
Merchán, M.; Serrano-Andrés, L.; Robb, M. A.; Blancafort, L. Triplet-State Formation along the Ultrafast Decay of Excited Singlet Cytosine J. Am. Chem. Soc. 2005, 127, 1820-1825
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 1820-1825
-
-
Merchán, M.1
Serrano-Andrés, L.2
Robb, M.A.3
Blancafort, L.4
-
38
-
-
84871518584
-
Semiclassical Dynamics Simulation and CASSCF Calculation for 5-Methyl Cytosine and Cytosine
-
Shuai, Y.; Jing, M.; Wen-Ying, Z.; Kun-Xian, S.; Yu-Sheng, D. Semiclassical Dynamics Simulation and CASSCF Calculation for 5-Methyl Cytosine and Cytosine Acta Phys.-Chim. Sin. 2012, 28, 2803-2808
-
(2012)
Acta Phys.-Chim. Sin.
, vol.28
, pp. 2803-2808
-
-
Shuai, Y.1
Jing, M.2
Wen-Ying, Z.3
Kun-Xian, S.4
Yu-Sheng, D.5
-
39
-
-
0037153295
-
Interaction of Water Molecules with Cytosine Tautomers: An Excited-State Quantum Chemical Investigation
-
Shukla, M. K.; Leszczynski, J. Interaction of Water Molecules with Cytosine Tautomers: An Excited-State Quantum Chemical Investigation J. Phys. Chem. A 2002, 106, 11338-11346
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 11338-11346
-
-
Shukla, M.K.1
Leszczynski, J.2
-
40
-
-
1842788896
-
TDDFT Investigation on Nucleic Acid Bases: Comparison with Experiments and Standard Approach
-
Shukla, M. K.; Leszczynski, J. TDDFT Investigation on Nucleic Acid Bases: Comparison with Experiments and Standard Approach J. Comput. Chem. 2004, 25, 768-778
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 768-778
-
-
Shukla, M.K.1
Leszczynski, J.2
-
41
-
-
33646260931
-
A TDDFT Study of the Excited States of DNA Bases and Their Assemblies
-
Varsano, D.; Di Felice, R.; Marques, M. A. L.; Rubio, A. A TDDFT Study of the Excited States of DNA Bases and Their Assemblies J. Phys. Chem. B 2006, 110, 7129-7138
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 7129-7138
-
-
Varsano, D.1
Di Felice, R.2
Marques, M.A.L.3
Rubio, A.4
-
42
-
-
41949111772
-
Benchmarks for Electronically Excited States: CASPT2, CC2, CCSD, and CC3
-
Schreiber, M.; Silva-Junior, M. R.; Sauer, S. P.; Thiel, W. Benchmarks for Electronically Excited States: CASPT2, CC2, CCSD, and CC3 J. Chem. Phys. 2008, 128, 134110
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 134110
-
-
Schreiber, M.1
Silva-Junior, M.R.2
Sauer, S.P.3
Thiel, W.4
-
43
-
-
34547256969
-
Quantum-Chemical Investigation of the Structures and Electronic Spectra of the Nucleic Acid Bases at the Coupled Cluster CC2 level
-
Fleig, T.; Knecht, S.; Hättig, C. Quantum-Chemical Investigation of the Structures and Electronic Spectra of the Nucleic Acid Bases at the Coupled Cluster CC2 level J. Phys. Chem. A 2007, 111, 5482-5491
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 5482-5491
-
-
Fleig, T.1
Knecht, S.2
Hättig, C.3
-
44
-
-
84870594750
-
Comparative Study of the Relaxation Mechanisms of the Excited States of Cytosine and Isocytosine
-
Bakalska, R. I.; Delchev, V. B. Comparative Study of the Relaxation Mechanisms of the Excited States of Cytosine and Isocytosine J. Mol. Model. 2012, 18, 5133-5146
-
(2012)
J. Mol. Model.
, vol.18
, pp. 5133-5146
-
-
Bakalska, R.I.1
Delchev, V.B.2
-
45
-
-
84862841174
-
Benchmark Studies on the Building Blocks of DNA. 1. Superiority of Coupled Cluster Methods in Describing the Excited States of Nucleobases in the Franck-Condon Region
-
Szalay, P. G.; Watson, T.; Perera, A.; Lotrich, V. F.; Bartlett, R. J. Benchmark Studies on the Building Blocks of DNA. 1. Superiority of Coupled Cluster Methods in Describing the Excited States of Nucleobases in the Franck-Condon Region J. Phys. Chem. A 2012, 116, 6702-6710
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 6702-6710
-
-
Szalay, P.G.1
Watson, T.2
Perera, A.3
Lotrich, V.F.4
Bartlett, R.J.5
-
46
-
-
46749145377
-
Application of High-Level Iterative Coupled-Cluster Methods to the Cytosine Molecule
-
Kowalski, K.; Valiev, M. Application of High-Level Iterative Coupled-Cluster Methods to the Cytosine Molecule J. Phys. Chem. A 2008, 112, 5538-5541
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 5538-5541
-
-
Kowalski, K.1
Valiev, M.2
-
47
-
-
84880020485
-
Photophysics of Cytosine Tautomers: New Insights into the Nonradiative Decay Mechanisms from MS-CASPT2 Potential Energy Calculations and Excited-State Molecular Dynamics Simulations
-
Nakayama, A.; Harabuchi, Y.; Yamazaki, S.; Taketsugu, T. Photophysics of Cytosine Tautomers: New Insights into the Nonradiative Decay Mechanisms from MS-CASPT2 Potential Energy Calculations and Excited-State Molecular Dynamics Simulations Phys. Chem. Chem. Phys. 2013, 15, 12322-12339
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 12322-12339
-
-
Nakayama, A.1
Harabuchi, Y.2
Yamazaki, S.3
Taketsugu, T.4
-
48
-
-
84884291887
-
A Singlet and Triplet Excited-State Dynamics Study of the Keto and Enol Tautomers of Cytosine
-
Mai, S.; Marquetand, P.; Richter, M.; González-Vázquez, J.; González, L. A Singlet and Triplet Excited-State Dynamics Study of the Keto and Enol Tautomers of Cytosine ChemPhysChem 2013, 13, 2920-2931
-
(2013)
ChemPhysChem
, vol.13
, pp. 2920-2931
-
-
Mai, S.1
Marquetand, P.2
Richter, M.3
González-Vázquez, J.4
González, L.5
-
49
-
-
84881085020
-
Photochemistry and Photophysics of the Amino and Imino Tautomers of 1-Methylcytosine: Tautomerisation as a Side Product of the Radiationless Decay
-
Li, Q.; Blancafort, L. Photochemistry and Photophysics of the Amino and Imino Tautomers of 1-Methylcytosine: Tautomerisation as a Side Product of the Radiationless Decay Photochem. Photobiol. Sci. 2013, 12, 1401-1408
-
(2013)
Photochem. Photobiol. Sci.
, vol.12
, pp. 1401-1408
-
-
Li, Q.1
Blancafort, L.2
-
50
-
-
0032216489
-
Macmolplt: A Graphical User Interface for GAMESS
-
Bode, B. M.; Gordon, M. S. Macmolplt: a Graphical User Interface for GAMESS J. Mol. Graphics Model. 1998, 16, 133-138
-
(1998)
J. Mol. Graphics Model.
, vol.16
, pp. 133-138
-
-
Bode, B.M.1
Gordon, M.S.2
-
51
-
-
33746563448
-
Advances in Quantum Chemical Methods and Algorithms in the Q-Chem 3.0 Program Package
-
Shao, Y.; Fusti-Molnar, L.; Jung, Y.; Kussmann, J.; Ochsenfeld, C.; Brown, S. T.; Gilbert, A. T. B.; Slipchenko, L. V.; Levchenko, S. V.; O'Neill, D. P. Advances in Quantum Chemical Methods and Algorithms in the Q-Chem 3.0 Program Package Phys. Chem. Chem. Phys. 2006, 8, 3172-3191
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 3172-3191
-
-
Shao, Y.1
Fusti-Molnar, L.2
Jung, Y.3
Kussmann, J.4
Ochsenfeld, C.5
Brown, S.T.6
Gilbert, A.T.B.7
Slipchenko, L.V.8
Levchenko, S.V.9
O'Neill, D.P.10
-
52
-
-
77955309392
-
NWChem: A Comprehensive and Scalable Open-Source Solution for Large Scale Molecular Simulations
-
Valiev, M.; Bylaska, E.; Govind, N.; Kowalski, K.; Straatsma, T.; van Dam, H.; Wang, D.; Nieplocha, J.; Apra, E.; Windus, T. NWChem: a Comprehensive and Scalable Open-Source Solution for Large Scale Molecular Simulations Comput. Phys. Commun. 2010, 181, 1477-1489
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 1477-1489
-
-
Valiev, M.1
Bylaska, E.2
Govind, N.3
Kowalski, K.4
Straatsma, T.5
Van Dam, H.6
Wang, D.7
Nieplocha, J.8
Apra, E.9
Windus, T.10
-
53
-
-
84893169025
-
General Atomic and Molecular Electronic Structure System
-
Schmidt, M.; Baldridge, K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Kosiki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. General Atomic and Molecular Electronic Structure System J. Comput. Chem. 1993, 14, 1347-1363
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347-1363
-
-
Schmidt, M.1
Baldridge, K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Kosiki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.10
-
54
-
-
0024551678
-
Tautomers of Cytosine by Microwave Spectroscopy
-
Brown, R. D.; Godfrey, P. D.; Mcnaughton, D.; Pierlot, A. Tautomers of Cytosine by Microwave Spectroscopy J. Am. Chem. Soc. 1989, 111, 2308-2316
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 2308-2316
-
-
Brown, R.D.1
Godfrey, P.D.2
McNaughton, D.3
Pierlot, A.4
-
55
-
-
77955912816
-
NIR-Laser-Induced Selective Rotamerization of Hydroxy Conformers of Cytosine
-
Lapinski, L.; Nowak, M. J.; Reva, I.; Rostkowska, H.; Fausto, R. NIR-Laser-Induced Selective Rotamerization of Hydroxy Conformers of Cytosine Phys. Chem. Chem. Phys. 2010, 12, 9615-9618
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 9615-9618
-
-
Lapinski, L.1
Nowak, M.J.2
Reva, I.3
Rostkowska, H.4
Fausto, R.5
-
56
-
-
77956777463
-
Tautomerism in Cytosine and Uracil: A Theoretical and Experimental X-ray Absorption and Resonant Auger Study
-
Feyer, V.; Plekan, O.; Richter, R.; Coreno, M.; de Simone, M.; Prince, K. C.; Trofimov, A. B.; Zaytseva, I. L.; Schirmer, J. Tautomerism in Cytosine and Uracil: a Theoretical and Experimental X-ray Absorption and Resonant Auger Study J. Phys. Chem. A 2010, 114, 10270-10276
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 10270-10276
-
-
Feyer, V.1
Plekan, O.2
Richter, R.3
Coreno, M.4
De Simone, M.5
Prince, K.C.6
Trofimov, A.B.7
Zaytseva, I.L.8
Schirmer, J.9
-
57
-
-
84862078497
-
UV-Induced Amino → Imino Hydrogen-Atom Transfer in 1-Methylcytosine
-
Reva, I.; Nowak, M. J.; Lapinski, L.; Fausto, R. UV-Induced Amino → Imino Hydrogen-Atom Transfer in 1-Methylcytosine J. Phys. Chem. B 2012, 5703-5710
-
(2012)
J. Phys. Chem. B
, pp. 5703-5710
-
-
Reva, I.1
Nowak, M.J.2
Lapinski, L.3
Fausto, R.4
-
58
-
-
84866734259
-
Tautomeric Transitions of Isocytosine Isolated in Argon and Neon Matrices Induced by UV Irradiation
-
Ivanov, A. Y.; Stepanian, S. G.; Adamowicz, L. Tautomeric Transitions of Isocytosine Isolated in Argon and Neon Matrices Induced by UV Irradiation J. Mol. Struct. 2012, 1025, 92-104
-
(2012)
J. Mol. Struct.
, vol.1025
, pp. 92-104
-
-
Ivanov, A.Y.1
Stepanian, S.G.2
Adamowicz, L.3
-
59
-
-
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
-
60
-
-
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
-
61
-
-
84961980141
-
A Theoretical Study on Tautomerization Processes of Dehydrated and Monohydrated Cytosine
-
Mazzuca, D.; Marino, T.; Russo, N.; Toscano, M. A Theoretical Study on Tautomerization Processes of Dehydrated and Monohydrated Cytosine J. Mol. Struct. 2007, 811, 161-167
-
(2007)
J. Mol. Struct.
, vol.811
, pp. 161-167
-
-
Mazzuca, D.1
Marino, T.2
Russo, N.3
Toscano, M.4
-
62
-
-
3042568990
-
Theoretical Studies of the Unimolecular and Bimolecular Tautomerization of Cytosine
-
Yang, Z.; Rodgers, M. T. Theoretical Studies of the Unimolecular and Bimolecular Tautomerization of Cytosine Phys. Chem. Chem. Phys. 2004, 6, 2749-2757
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 2749-2757
-
-
Yang, Z.1
Rodgers, M.T.2
-
63
-
-
58149163144
-
A Computational Study on the Mechanism of Intramolecular Oxo-Hydroxy Phototautomerism Driven by Repulsive πσ* State
-
Chmura, B.; Rode, M. F.; Sobolewski, A. L.; Lapinski, L.; Nowak, M. J. A Computational Study on the Mechanism of Intramolecular Oxo-Hydroxy Phototautomerism Driven by Repulsive πσ* State J. Phys. Chem. A 2008, 112, 13655-13661
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 13655-13661
-
-
Chmura, B.1
Rode, M.F.2
Sobolewski, A.L.3
Lapinski, L.4
Nowak, M.J.5
-
64
-
-
84857319888
-
Spontaneous Tunneling and Near-Infrared-Induced Interconversion between the Amino-Hydroxy Conformers of Cytosine
-
Reva, I.; Nowak, M. J.; Lapinski, L.; Fausto, R. Spontaneous Tunneling and Near-Infrared-Induced Interconversion Between the Amino-Hydroxy Conformers of Cytosine J. Chem. Phys. 2012, 136, 064511
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 064511
-
-
Reva, I.1
Nowak, M.J.2
Lapinski, L.3
Fausto, R.4
|