-
1
-
-
33748366270
-
Purine-bases, nucleosides, and nucleotides - Aqueous-solution redox chemistry and transformation reactions of their radical cations and e- and OH adducts
-
Steenken, S. (1989) Purine-bases, nucleosides, and nucleotides - Aqueous-solution redox chemistry and transformation reactions of their radical cations and e- and OH adducts. Chem. Rev. 89, 503-520.
-
(1989)
Chem. Rev
, vol.89
, pp. 503-520
-
-
Steenken, S.1
-
2
-
-
0028927261
-
Reactions of oxyl radicals with DNA
-
Breen, A. P., and Murphy, J. A. (1995) Reactions of oxyl radicals with DNA. Free Radical Biol. Med. 18, 1033-1077.
-
(1995)
Free Radical Biol. Med
, vol.18
, pp. 1033-1077
-
-
Breen, A.P.1
Murphy, J.A.2
-
3
-
-
4243545125
-
Oxidative nucleobase modifications leading to strand scission
-
Burrows, C. J., and Muller, J. G. (1998) Oxidative nucleobase modifications leading to strand scission. Chem. Rev. 98, 1109-1151.
-
(1998)
Chem. Rev
, vol.98
, pp. 1109-1151
-
-
Burrows, C.J.1
Muller, J.G.2
-
4
-
-
0034602912
-
Reaction of HO· with guanine derivatives in aqueous solution: Formation of two different redox-active OH-adduct radicals and their unimolecular transformation reactions. Properties of G(-H)(center dot)
-
Candeias, L. P., and Steenken, S. (2000) Reaction of HO· with guanine derivatives in aqueous solution: Formation of two different redox-active OH-adduct radicals and their unimolecular transformation reactions. Properties of G(-H)(center dot). Chem. Eur. J. 6, 475-484.
-
(2000)
Chem. Eur. J
, vol.6
, pp. 475-484
-
-
Candeias, L.P.1
Steenken, S.2
-
5
-
-
4444339833
-
Oxidative DNA damage and disease: Induction, repair and significance
-
Evans, M. D., Dizdaroglu, M., and Cooke, M. S. (2004) Oxidative DNA damage and disease: Induction, repair and significance. Mutat. Res. - Rev. Mutat. Res. 567, 1-61.
-
(2004)
Mutat. Res. - Rev. Mutat. Res
, vol.567
, pp. 1-61
-
-
Evans, M.D.1
Dizdaroglu, M.2
Cooke, M.S.3
-
6
-
-
33646839960
-
Genetic effects of oxidative DNA damages: Comparative mutagenesis of the imidazole ring-opened formamidopyrimidines (FAPy lesions) and 8-oxo-purines in simian kidney cells
-
Kalam, M. A., Haraguchi, K., Chandani, S., Loechler, E. L., Moriya, M., Greenberg, M. M., and Basu, A. K. (2006) Genetic effects of oxidative DNA damages: Comparative mutagenesis of the imidazole ring-opened formamidopyrimidines (FAPy lesions) and 8-oxo-purines in simian kidney cells. Nucleic Acids Res. 34, 2305-2315.
-
(2006)
Nucleic Acids Res
, vol.34
, pp. 2305-2315
-
-
Kalam, M.A.1
Haraguchi, K.2
Chandani, S.3
Loechler, E.L.4
Moriya, M.5
Greenberg, M.M.6
Basu, A.K.7
-
7
-
-
0141757434
-
DNA base damage by the antitumor agent 3-amino-1,2,4-benzotriazine 1,4-dioxide (tirapazamine)
-
Birincioglu, M., Jaruga, P., Chowdhury, G., Rodriguez, H., Dizdaroglu, M., and Gates, K. S. (2003) DNA base damage by the antitumor agent 3-amino-1,2,4-benzotriazine 1,4-dioxide (tirapazamine). J. Am. Chem. Soc. 125, 11607-11615.
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 11607-11615
-
-
Birincioglu, M.1
Jaruga, P.2
Chowdhury, G.3
Rodriguez, H.4
Dizdaroglu, M.5
Gates, K.S.6
-
8
-
-
33646080824
-
Mechanisms of formation, genotoxicity, and mutation of guanine oxidation products
-
Neeley, W. L., and Essigmann, J. M. (2006) Mechanisms of formation, genotoxicity, and mutation of guanine oxidation products. Chem. Res. Toxicol. 19, 491-505.
-
(2006)
Chem. Res. Toxicol
, vol.19
, pp. 491-505
-
-
Neeley, W.L.1
Essigmann, J.M.2
-
9
-
-
0027278557
-
Instability and decay of the primary structure of DNA
-
Lindahl, T. (1993) Instability and decay of the primary structure of DNA. Nature 362, 709-715.
-
(1993)
Nature
, vol.362
, pp. 709-715
-
-
Lindahl, T.1
-
10
-
-
0010935866
-
Spontaneous mutagenesis - Experimental, genetic and other factors
-
Smith, K. C. (1992) Spontaneous mutagenesis - Experimental, genetic and other factors. Mutat. Res. 277, 139-162.
-
(1992)
Mutat. Res
, vol.277
, pp. 139-162
-
-
Smith, K.C.1
-
11
-
-
0001498454
-
Electron affinities and ionization potentials of nucleotide bases
-
Wetmore, S. D., Boyd, R. J., and Eriksson, L. A. (2000) Electron affinities and ionization potentials of nucleotide bases. Chem. Phys. Lett. 322, 129-135.
-
(2000)
Chem. Phys. Lett
, vol.322
, pp. 129-135
-
-
Wetmore, S.D.1
Boyd, R.J.2
Eriksson, L.A.3
-
12
-
-
84877627020
-
Photosensitized formation of 7,8-dihydro-8-oxo-2′-deoxyguanosine (8-hydroxy-2′-deoxyguanosine) in DNA by riboflavin - A nonsinglet oxygen mediated reaction
-
Kasai, H., Yamaizumi, Z., Berger, M., and Cadet, J. (1992) Photosensitized formation of 7,8-dihydro-8-oxo-2′-deoxyguanosine (8-hydroxy-2′-deoxyguanosine) in DNA by riboflavin - A nonsinglet oxygen mediated reaction. J. Am. Chem. Soc. 114, 9692-9694.
-
(1992)
J. Am. Chem. Soc
, vol.114
, pp. 9692-9694
-
-
Kasai, H.1
Yamaizumi, Z.2
Berger, M.3
Cadet, J.4
-
13
-
-
0030066087
-
Guanine radical cations are precursors of 7,8-dihydro-8-oxo-2′-deoxyguanosine but are not precursors of immediate strand breaks in DNA
-
Cullis, P. M., Malone, M. E., and Merson Davies, L. A. (1996) Guanine radical cations are precursors of 7,8-dihydro-8-oxo-2′-deoxyguanosine but are not precursors of immediate strand breaks in DNA. J. Am. Chem. Soc. 118, 2775-2781.
-
(1996)
J. Am. Chem. Soc
, vol.118
, pp. 2775-2781
-
-
Cullis, P.M.1
Malone, M.E.2
Merson Davies, L.A.3
-
14
-
-
23944508507
-
Oxidation of guanine and 8-oxo-7,8-dihydroguanine by carbonate radical anions: Insight from oxygen-18 labeling experiments
-
Crean, C., Geacintov, N. E., and Shafirovich, V. (2005) Oxidation of guanine and 8-oxo-7,8-dihydroguanine by carbonate radical anions: Insight from oxygen-18 labeling experiments. Angew. Chem., Int. Ed. 44, 5057-5060.
-
(2005)
Angew. Chem., Int. Ed
, vol.44
, pp. 5057-5060
-
-
Crean, C.1
Geacintov, N.E.2
Shafirovich, V.3
-
15
-
-
3543019650
-
Oxidative DNA damage associated with combination of guanine and superoxide radicals and repair mechanisms via radical trapping
-
Misiaszek, R., Crean, C., Joffe, A., Geacintov, N. E., and Shafirovich, V. (2004) Oxidative DNA damage associated with combination of guanine and superoxide radicals and repair mechanisms via radical trapping. J. Biol. Chem. 279, 32106-32115.
-
(2004)
J. Biol. Chem
, vol.279
, pp. 32106-32115
-
-
Misiaszek, R.1
Crean, C.2
Joffe, A.3
Geacintov, N.E.4
Shafirovich, V.5
-
16
-
-
13544277677
-
Formation of 8-oxo-7,8-dihydroguanine-radicals in gamma-irradiated DNA by multiple one-electron oxidations
-
Shukla, L. I., Adhikary, A., Pazdro, R., Becker, D., and Sevilla, M. D. (2004) Formation of 8-oxo-7,8-dihydroguanine-radicals in gamma-irradiated DNA by multiple one-electron oxidations. Nucleic Acids Res. 32, 6565-6574.
-
(2004)
Nucleic Acids Res
, vol.32
, pp. 6565-6574
-
-
Shukla, L.I.1
Adhikary, A.2
Pazdro, R.3
Becker, D.4
Sevilla, M.D.5
-
17
-
-
0001434563
-
Isolation and characterization of the radiation-induced degradation products of 2′-deoxyguanosine in oxygen-free aqueous-solutions
-
Berger, M., and Cadet, J. (1985) Isolation and characterization of the radiation-induced degradation products of 2′-deoxyguanosine in oxygen-free aqueous-solutions. Z. Naturforsch., B: Chem. Sci. 40, 1519-1531.
-
(1985)
Z. Naturforsch., B: Chem. Sci
, vol.40
, pp. 1519-1531
-
-
Berger, M.1
Cadet, J.2
-
18
-
-
0028841039
-
Gamma-irradiation of 2′-deoxyadenosine in oxygen-free aqueous-solutions - Identification and conformational features of formamidopyrimidine nucleoside derivatives
-
Raoul, S., Bardet, M., and Cadet, J. (1995) Gamma-irradiation of 2′-deoxyadenosine in oxygen-free aqueous-solutions - Identification and conformational features of formamidopyrimidine nucleoside derivatives. Chem. Res. Toxicol. 8, 924-933.
-
(1995)
Chem. Res. Toxicol
, vol.8
, pp. 924-933
-
-
Raoul, S.1
Bardet, M.2
Cadet, J.3
-
19
-
-
0015078607
-
The decomposition of adenine by ionizing radiation
-
Van Hemmen, J. J., and Bleichrodt, J. F. (1971) The decomposition of adenine by ionizing radiation. Radiat. Res. 46, 444-456.
-
(1971)
Radiat. Res
, vol.46
, pp. 444-456
-
-
Van Hemmen, J.J.1
Bleichrodt, J.F.2
-
20
-
-
11844274615
-
• dG (N-6-(2-deoxy-α,β-D- erythropentofuranosyl)-2,6-diamino-4-hydroxy- 5-formamidopyrimidine) using a 5′-dimethoxytrityl dinucleotide phosphoramidite
-
• dG (N-6-(2-deoxy-α,β-D- erythropentofuranosyl)-2,6-diamino-4-hydroxy- 5-formamidopyrimidine) using a 5′-dimethoxytrityl dinucleotide phosphoramidite. J. Org. Chem. 70, 141-149.
-
(2005)
J. Org. Chem
, vol.70
, pp. 141-149
-
-
Jiang, Y.L.1
Wiederholt, C.J.2
Patro, J.N.3
Haraguchi, K.4
Greenberg, M.M.5
-
21
-
-
34047255374
-
Replication and repair of the oxidative DNA lesions 8-oxoG and FAPyG
-
Ober, M., Hsu, G. W., Beese, L. S., Coste, F., Boiteux, S., Zelwer, C., Castaing, B., and Carell, T. (2005) Replication and repair of the oxidative DNA lesions 8-oxoG and FAPyG. ACS Abstr. Pap. 229, U260-U260.
-
(2005)
ACS Abstr. Pap
, vol.229
-
-
Ober, M.1
Hsu, G.W.2
Beese, L.S.3
Coste, F.4
Boiteux, S.5
Zelwer, C.6
Castaing, B.7
Carell, T.8
-
22
-
-
29844445613
-
Base pairing and replicative processing of the formamidopyrimidine-dG DNA lesion
-
Ober, M., Muller, H., Pieck, C., Gierlich, J., and Carell, T. (2005) Base pairing and replicative processing of the formamidopyrimidine-dG DNA lesion. J. Am. Chem. Soc. 127, 18143-18149.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 18143-18149
-
-
Ober, M.1
Muller, H.2
Pieck, C.3
Gierlich, J.4
Carell, T.5
-
23
-
-
1142311532
-
Formamidopyrimidines as major products in the low- and high-intensity UV irradiation of guanine derivatives
-
Crespo-Hernandez, C. E., and Arce, R. (2004) Formamidopyrimidines as major products in the low- and high-intensity UV irradiation of guanine derivatives. J. Photochem. Photobiol., B 73, 167-175.
-
(2004)
J. Photochem. Photobiol., B
, vol.73
, pp. 167-175
-
-
Crespo-Hernandez, C.E.1
Arce, R.2
-
24
-
-
6344223490
-
Structural basis for the recognition of the FAPydG lesion (2,6-diamino-4-hydroxy-5-formamidopyrimidine) by formamidopyrimidine-DNA glycosylase
-
Coste, F., Ober, M., Carell, T., Boiteux, S., Zelwer, C., and Castaing, B. (2004) Structural basis for the recognition of the FAPydG lesion (2,6-diamino-4-hydroxy-5-formamidopyrimidine) by formamidopyrimidine-DNA glycosylase. J. Biol. Chem. 279, 44074-44083.
-
(2004)
J. Biol. Chem
, vol.279
, pp. 44074-44083
-
-
Coste, F.1
Ober, M.2
Carell, T.3
Boiteux, S.4
Zelwer, C.5
Castaing, B.6
-
25
-
-
0037016581
-
Synthesis, stability, and conformation of the formamidopyrimidine G DNA lesion
-
Burgdorf, L. T., and Carell, T. (2002) Synthesis, stability, and conformation of the formamidopyrimidine G DNA lesion. Chem. Eur. J. 8, 293-301.
-
(2002)
Chem. Eur. J
, vol.8
, pp. 293-301
-
-
Burgdorf, L.T.1
Carell, T.2
-
26
-
-
0036153259
-
DFT calculations on the electrophilic reaction with water of the guanine and adenine radical cations. A model for the situation in DNA
-
Reynisson, H., and Steenken, S. (2002) DFT calculations on the electrophilic reaction with water of the guanine and adenine radical cations. A model for the situation in DNA. Phys. Chem. Chem. Phys. 4, 527-532.
-
(2002)
Phys. Chem. Chem. Phys
, vol.4
, pp. 527-532
-
-
Reynisson, H.1
Steenken, S.2
-
27
-
-
84962343685
-
Oxidation pathways of adenine and guanine in aqueous solution from first principles electrochemistry
-
Llano, J., and Eriksson, L. A. (2004) Oxidation pathways of adenine and guanine in aqueous solution from first principles electrochemistry. Phys. Chem. Chem. Phys. 6, 4707-4713.
-
(2004)
Phys. Chem. Chem. Phys
, vol.6
, pp. 4707-4713
-
-
Llano, J.1
Eriksson, L.A.2
-
28
-
-
84961979180
-
Mechanisms of formation of 8-oxoguanine due to reactions of one and two OH center dot radicals and the H2O2 molecule with guanine: A quantum computational study
-
Jena, N. R., and Mishra, P. C. (2005) Mechanisms of formation of 8-oxoguanine due to reactions of one and two OH center dot radicals and the H2O2 molecule with guanine: A quantum computational study. J. Phys. Chem. B 109, 14205-14218.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 14205-14218
-
-
Jena, N.R.1
Mishra, P.C.2
-
29
-
-
0000251808
-
Comparison of experimental and calculated hyperfine coupling constants. Which radicals are formed in irradiated guanine?
-
Wetmore, S. D., Boyd, R. J., and Eriksson, L. A. (1998) Comparison of experimental and calculated hyperfine coupling constants. Which radicals are formed in irradiated guanine? J. Phys. Chem. B 102, 9332-9343.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 9332-9343
-
-
Wetmore, S.D.1
Boyd, R.J.2
Eriksson, L.A.3
-
30
-
-
0021024099
-
Pulse radiolytic study of the interaction of thiols and ascorbate with OH adducts of Dgmp and Dg - Implications for DNA-repair processes
-
O'Neill, P. (1983) Pulse radiolytic study of the interaction of thiols and ascorbate with OH adducts of Dgmp and Dg - Implications for DNA-repair processes. Radiat. Res. 96, 198-210.
-
(1983)
Radiat. Res
, vol.96
, pp. 198-210
-
-
O'Neill, P.1
-
31
-
-
0021966422
-
Potential repair of free-radical adducts of Dgmp and Dg by a series of reductants - A pulse radiolytic study
-
O'Neill, P., and Chapman, P. W. (1985) Potential repair of free-radical adducts of Dgmp and Dg by a series of reductants - A pulse radiolytic study. Int. J. Radiat. Biol. 47, 71-80.
-
(1985)
Int. J. Radiat. Biol
, vol.47
, pp. 71-80
-
-
O'Neill, P.1
Chapman, P.W.2
-
32
-
-
18844386528
-
Hydroxyl radical reactions in biological media
-
Barone, V, Bencini, A, Fantucci, P, Eds, World Scientific, Singapore
-
Wetmore, S. D., Boyd, R. J., LLano, J., Lundqvist, M. J., and Eriksson, L. A. (2000) Hydroxyl radical reactions in biological media. In Recent Advances in Density Functional Methods (Barone, V., Bencini, A., Fantucci, P., Eds.) Vol. 3, pp 387-415, World Scientific, Singapore.
-
(2000)
Recent Advances in Density Functional Methods
, vol.3
, pp. 387-415
-
-
Wetmore, S.D.1
Boyd, R.J.2
LLano, J.3
Lundqvist, M.J.4
Eriksson, L.A.5
-
33
-
-
34047257825
-
-
Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Scalmani, G, Kudin, K. N, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Li, X, Hratchian, H. P, Peralta, J. E, Izmaylov, A. F, Brothers, E, Staroverov, V, Kobayashi, R, Normand, J, Burant, J. C, Millam, J. M, Klene, M, Knox, J. E, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov
-
Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Montgomery, J. A., Jr., Vreven, T., Scalmani, G., Kudin, K. N., Iyengar, S. S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Rega, N., Petersson, G. A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Li, X., Hratchian, H. P., Peralta, J. E., Izmaylov, A. F., Brothers, E., Staroverov, V., Kobayashi, R., Normand, J., Burant, J. C., Millam, J. M., Klene, M., Knox, J. E., Cross, J. B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R. E., Yazyev, O., Austin, A. J., Cammi, R., Pomelli, C., Ochterski, J. W., Ayala, P. Y., Morokuma, K., Voth, G. A., Salvador, P., Dannenberg, J. J., Zakrzewski, V. G., Dapprich, S., Daniels, A. D., Strain, M. C., Farkas, O., Malick, D. K., Rabuck, A. D., Raghavachari, K., Foresman, J. B., Ortiz, J. V., Cui, Q., Baboul, A. G., Clifford, S., Cioslowski, J., Stefanov, B. B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R. L., Fox, D. J., Keith, T., Al-Laham, M. A., Peng, C. Y., Nanayakkara, A., Challacombe, M., Chen, W., Wong, M. W., and Pople, J. A. (2006) Gaussian DV, Gaussian, Inc., Wallingford, CT.
-
-
-
-
34
-
-
0000189651
-
Density functional theory. III. The role of exact exchange
-
Becke, A. D. (1993) Density functional theory. III. The role of exact exchange. J. Chem. Phys. 98, 5648-5652.
-
(1993)
J. Chem. Phys
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
35
-
-
4243553426
-
Density functional exchange energy approximation with correct asymptotic behavior
-
Becke, A. D. (1988) Density functional exchange energy approximation with correct asymptotic behavior. Phys. Rev. A 38, 3098-3100.
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
36
-
-
0345491105
-
Development of the Colle-Salvetti correlation energy formula into a functional of the electron density
-
Lee, C., Yang, W., and Parr, R. D. (1988) Development of the Colle-Salvetti correlation energy formula into a functional of the electron density. Phys. Rev. B 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.D.3
-
37
-
-
36849115659
-
Self-consistent molecular-orbital methods. IX. An extended Gaussian-type basis for molecular-orbital studies of organic molecules
-
Ditchfield, R., Hehre, W. J., and Pople, J. A. (1971) Self-consistent molecular-orbital methods. IX. An extended Gaussian-type basis for molecular-orbital studies of organic molecules. J. Chem. Phys. 54, 724-728.
-
(1971)
J. Chem. Phys
, vol.54
, pp. 724-728
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
38
-
-
0347170005
-
Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular Orbital studies of organic molecules
-
Hehre, W. J., Ditchfield, R., and Pople, J. A. (1972) Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular Orbital studies of organic molecules. J. Chem. Phys. 56, 2257-2261.
-
(1972)
J. Chem. Phys
, vol.56
, pp. 2257-2261
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
39
-
-
33748545144
-
The influence of polarization functions on molecular orbital hydrogenation energies
-
Hariharan, P. C., and Pople, J. A. (1973) The influence of polarization functions on molecular orbital hydrogenation energies. Theor. Chim. Acta 28, 213-222.
-
(1973)
Theor. Chim. Acta
, vol.28
, pp. 213-222
-
-
Hariharan, P.C.1
Pople, J.A.2
-
40
-
-
0000812163
-
Accuracy of AH, equilibrium geometries by single determinant molecular orbital theory
-
Hariharan, P. C., and Pople, J. A. (1974) Accuracy of AH, equilibrium geometries by single determinant molecular orbital theory. Mol. Phys. 27, 209-214.
-
(1974)
Mol. Phys
, vol.27
, pp. 209-214
-
-
Hariharan, P.C.1
Pople, J.A.2
-
41
-
-
85022583881
-
The isomers of silacyclopropane
-
Gordon, M. S. (1980) The isomers of silacyclopropane. Chem. Phys. Lett. 76, 163-168.
-
(1980)
Chem. Phys. Lett
, vol.76
, pp. 163-168
-
-
Gordon, M.S.1
-
42
-
-
33645949559
-
Self-consistent molecular-orbital methods. 23. A polarization-type basis set for 2nd-row elements
-
Francl, M. M., Pietro, W. J., Hehre, W. J., Binkley, J. S., Gordon, M. S., Defrees, D. J., and Pople, J. A. (1982) Self-consistent molecular-orbital methods. 23. A polarization-type basis set for 2nd-row elements. J. Chem. Phys. 77, 3654-3665.
-
(1982)
J. Chem. Phys
, vol.77
, pp. 3654-3665
-
-
Francl, M.M.1
Pietro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
Defrees, D.J.6
Pople, J.A.7
-
43
-
-
0031209054
-
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
-
Cances, E., Mennucci, B., and Tomasi, J. (1997) A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics. J. Chem. Phys. 107, 3032-3041.
-
(1997)
J. Chem. Phys
, vol.107
, pp. 3032-3041
-
-
Cances, E.1
Mennucci, B.2
Tomasi, J.3
-
44
-
-
84961979198
-
Continuum solvation models: A new approach to the problem of solute's charge distribution and cavity boundaries
-
Mennucci, B., and Tomasi, J. (1997) Continuum solvation models: A new approach to the problem of solute's charge distribution and cavity boundaries. J. Chem. Phys. 106, 5151-5158.
-
(1997)
J. Chem. Phys
, vol.106
, pp. 5151-5158
-
-
Mennucci, B.1
Tomasi, J.2
-
45
-
-
0031553301
-
Evaluation of solvent effects in isotropic and anisotropic dielectrics and in ionic solutions with a unified integral equation method: Theoretical bases, computational implementation, and numerical applications
-
Mennucci, B., Cances, E., and Tomasi, J. (1997) Evaluation of solvent effects in isotropic and anisotropic dielectrics and in ionic solutions with a unified integral equation method: Theoretical bases, computational implementation, and numerical applications. J. Phys. Chem. B 101, 10506-10517.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 10506-10517
-
-
Mennucci, B.1
Cances, E.2
Tomasi, J.3
-
46
-
-
84962428823
-
The IEF version of the PCM solvation method: An overview of a new method addressed to study molecular solutes at the QM ab initio level
-
Tomasi, J., Mennucci, B., and Cances, E. (1999) The IEF version of the PCM solvation method: An overview of a new method addressed to study molecular solutes at the QM ab initio level. J. Mol. Struct. (Theochem) 464, 211-226.
-
(1999)
J. Mol. Struct. (Theochem)
, vol.464
, pp. 211-226
-
-
Tomasi, J.1
Mennucci, B.2
Cances, E.3
-
47
-
-
0000262725
-
Reaction field treatment of charge penetration
-
Chipman, D. M. (2000) Reaction field treatment of charge penetration. J. Chem. Phys. 112, 5558-5565.
-
(2000)
J. Chem. Phys
, vol.112
, pp. 5558-5565
-
-
Chipman, D.M.1
-
48
-
-
0035826004
-
Comment on Reaction field treatment of charge penetration
-
Cances, E., and Mennucci, B. (2001) Comment on Reaction field treatment of charge penetration. J. Chem. Phys. 114, 4744-4745.
-
(2001)
J. Chem. Phys
, vol.114
, pp. 4744-4745
-
-
Cances, E.1
Mennucci, B.2
-
49
-
-
4143095330
-
Electron-affinities of the 1st-row atoms revisited - Systematic basis-sets and wave-functions
-
Kendall, R. A., Dunning, T. H., and Harrison, R. J. (1992) Electron-affinities of the 1st-row atoms revisited - Systematic basis-sets and wave-functions. J. Chem. Phys. 96, 6796-6806.
-
(1992)
J. Chem. Phys
, vol.96
, pp. 6796-6806
-
-
Kendall, R.A.1
Dunning, T.H.2
Harrison, R.J.3
-
50
-
-
0036667458
-
Site-specific hydroxylation at polyguanosine in double-stranded DNA by nickel(II) in the presence of SH compounds: Comparison with singlet oxygen-induced DNA damage
-
Oikawa, S., Hiraku, Y., Fujiwara, T., Saito, I., and Kawanishi, S. (2002) Site-specific hydroxylation at polyguanosine in double-stranded DNA by nickel(II) in the presence of SH compounds: Comparison with singlet oxygen-induced DNA damage. Chem. Res. Toxicol. 15, 1017-1022.
-
(2002)
Chem. Res. Toxicol
, vol.15
, pp. 1017-1022
-
-
Oikawa, S.1
Hiraku, Y.2
Fujiwara, T.3
Saito, I.4
Kawanishi, S.5
-
51
-
-
0000999485
-
Synthesis of dithiols as reducing agents for disulfides in neutral aqueous-solution and comparison of reduction potentials
-
Lamoureux, G. V., and Whitesides, G. M. (1993) Synthesis of dithiols as reducing agents for disulfides in neutral aqueous-solution and comparison of reduction potentials. J. Org. Chem. 58, 633-641.
-
(1993)
J. Org. Chem
, vol.58
, pp. 633-641
-
-
Lamoureux, G.V.1
Whitesides, G.M.2
-
52
-
-
0011083273
-
Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Moller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors
-
Scott, A. P., and Radom, L. (1996) Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Moller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors. J. Phys. Chem. 100, 16502-16513.
-
(1996)
J. Phys. Chem
, vol.100
, pp. 16502-16513
-
-
Scott, A.P.1
Radom, L.2
-
54
-
-
0001187303
-
Toward chemical accuracy in the computation of NMR shieldings: The PBE0 model
-
Adamo, C., and Barone, V. (1998) Toward chemical accuracy in the computation of NMR shieldings: The PBE0 model. Chem. Phys. Lett. 298, 113-119.
-
(1998)
Chem. Phys. Lett
, vol.298
, pp. 113-119
-
-
Adamo, C.1
Barone, V.2
-
55
-
-
0000967157
-
Correlation of empirical delta(TMS) and absolute NMR chemical shifts predicted by ab initio computations
-
Baldridge, K. K., and Siegel, J. S. (1999) Correlation of empirical delta(TMS) and absolute NMR chemical shifts predicted by ab initio computations. J. Phys. Chem. A 103, 4038-4042.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 4038-4042
-
-
Baldridge, K.K.1
Siegel, J.S.2
-
56
-
-
0036434460
-
A hybrid quantum mechanical and empirical model for the prediction of isotropic C-13 shielding constants of organic molecules
-
Giesen, D. J., and Zumbulyadis, N. (2002) A hybrid quantum mechanical and empirical model for the prediction of isotropic C-13 shielding constants of organic molecules. Phys. Chem. Chem. Phys. 4, 5498-5507.
-
(2002)
Phys. Chem. Chem. Phys
, vol.4
, pp. 5498-5507
-
-
Giesen, D.J.1
Zumbulyadis, N.2
-
57
-
-
1042290480
-
Mechanistic aspects of the oxidation of DNA constituents mediated by singlet molecular oxygen
-
Ravanat, J. L., Martinez, G. R., Medeiros, M. H. G., Di Mascio, P., and Cadet, J. (2004) Mechanistic aspects of the oxidation of DNA constituents mediated by singlet molecular oxygen. Arch. Biochem. Biophys. 423, 23-30.
-
(2004)
Arch. Biochem. Biophys
, vol.423
, pp. 23-30
-
-
Ravanat, J.L.1
Martinez, G.R.2
Medeiros, M.H.G.3
Di Mascio, P.4
Cadet, J.5
-
58
-
-
0025721812
-
Structure of formamidopyrimidine adducts as determined by NMR using specifically N-15-labeled guanosine
-
Humphreys, W. G., and Guengerich, F. P. (1991) Structure of formamidopyrimidine adducts as determined by NMR using specifically N-15-labeled guanosine. Chem. Res. Toxicol. 4, 632-636.
-
(1991)
Chem. Res. Toxicol
, vol.4
, pp. 632-636
-
-
Humphreys, W.G.1
Guengerich, F.P.2
-
59
-
-
0021760535
-
Two rotameric forms of open ring 7-methylguanine are present in alkylated polynucleotides
-
Boiteux, S., Belleney, J., Roques, B. P., and Laval, J. (1984) Two rotameric forms of open ring 7-methylguanine are present in alkylated polynucleotides. Nucleic Acids Res. 12, 5429-5439.
-
(1984)
Nucleic Acids Res
, vol.12
, pp. 5429-5439
-
-
Boiteux, S.1
Belleney, J.2
Roques, B.P.3
Laval, J.4
|