-
1
-
-
0030980402
-
Where are the sugar radicals in irradiated DNA?
-
D. M. Close, Where are the sugar radicals in irradiated DNA? Radiat. Res. 147, 663-673 (1997).
-
(1997)
Radiat. Res
, vol.147
, pp. 663-673
-
-
Close, D.M.1
-
2
-
-
19444383778
-
Sugar radicals in DNA: Isolation of neutral radicals in gamma-irradiated DNA by hole and electron scavenging
-
L. I. Shukla, R. Pazdro, D. Becker and M. D. Sevilla, Sugar radicals in DNA: Isolation of neutral radicals in gamma-irradiated DNA by hole and electron scavenging. Radiat. Res. 163, 591-602 (2005).
-
(2005)
Radiat. Res
, vol.163
, pp. 591-602
-
-
Shukla, L.I.1
Pazdro, R.2
Becker, D.3
Sevilla, M.D.4
-
3
-
-
26944440558
-
UVA-visible photo-excitation of guanine radical cations produces sugar radicals in DNA and model structures
-
A. Adhikary, A. Y. S. Malkhasian, S. Collins, J. Koppen, D. Becker and M. D. Sevilla, UVA-visible photo-excitation of guanine radical cations produces sugar radicals in DNA and model structures. Nucleic Acids Res. 33, 5553-5564 (2005).
-
(2005)
Nucleic Acids Res
, vol.33
, pp. 5553-5564
-
-
Adhikary, A.1
Malkhasian, A.Y.S.2
Collins, S.3
Koppen, J.4
Becker, D.5
Sevilla, M.D.6
-
4
-
-
33645547868
-
C5′- and C3′-sugar radicals produced via photo-excitation of one-electron oxidized adenine in 2′-deoxyadenonsine and its derivatives
-
A. Adhikary, D. Becker, S. Collins, J. Koppen and M. D. Sevilla, C5′- and C3′-sugar radicals produced via photo-excitation of one-electron oxidized adenine in 2′-deoxyadenonsine and its derivatives. Nucleic Acids Res. 34, 1501-1511 (2006).
-
(2006)
Nucleic Acids Res
, vol.34
, pp. 1501-1511
-
-
Adhikary, A.1
Becker, D.2
Collins, S.3
Koppen, J.4
Sevilla, M.D.5
-
5
-
-
36749110225
-
Radiation effects in X-irradiated hydroxy compounds
-
E. E. Budzinski, W. R. Potter and H. C. Box, Radiation effects in X-irradiated hydroxy compounds. J. Chem. Phys. 72, 972-975 (1980).
-
(1980)
J. Chem. Phys
, vol.72
, pp. 972-975
-
-
Budzinski, E.E.1
Potter, W.R.2
Box, H.C.3
-
6
-
-
0025218580
-
Studies of electrons trapped in X-irradiated rhamnose crystals
-
H. C. Box, E. E. Budzinski and H. G. Freund, Studies of electrons trapped in X-irradiated rhamnose crystals. Radiat. Res. 121, 262-266 (1990).
-
(1990)
Radiat. Res
, vol.121
, pp. 262-266
-
-
Box, H.C.1
Budzinski, E.E.2
Freund, H.G.3
-
7
-
-
2642630525
-
Primary reactions of localized electrons in rhamnose crystals studied by pulse-radiolysis and ESR spectroscopy
-
P. O. Samskog, A. Lund, G. Nilsson and M. C. R. Symons, Primary reactions of localized electrons in rhamnose crystals studied by pulse-radiolysis and ESR spectroscopy. J. Chem. Phys. 73, 4862-4866 (1980).
-
(1980)
J. Chem. Phys
, vol.73
, pp. 4862-4866
-
-
Samskog, P.O.1
Lund, A.2
Nilsson, G.3
Symons, M.C.R.4
-
8
-
-
2642601901
-
Geometric model of trapped electrons in X-ray-irradiated single-crystals of rhamnose
-
P. O. Samskog, L. D. Kispert and A. Lund, Geometric model of trapped electrons in X-ray-irradiated single-crystals of rhamnose. J. Chem. Phys. 79, 635-638 (1983).
-
(1983)
J. Chem. Phys
, vol.79
, pp. 635-638
-
-
Samskog, P.O.1
Kispert, L.D.2
Lund, A.3
-
9
-
-
33745790604
-
The alkoxy radical RCHO formed in irradiated single crystals of rhamnose
-
P. O. Samskog and A. Lund, The alkoxy radical RCHO formed in irradiated single crystals of rhamnose. Chem. Phys. Lett. 75, 525-527 (1980).
-
(1980)
Chem. Phys. Lett
, vol.75
, pp. 525-527
-
-
Samskog, P.O.1
Lund, A.2
-
10
-
-
33745772898
-
Alkoxy radicals - delta-proton hyperfine couplings
-
E. E. Budzinski and H. C. Box, Alkoxy radicals - delta-proton hyperfine couplings. J. Chem. Phys. 82, 3487-3490 (1985).
-
(1985)
J. Chem. Phys
, vol.82
, pp. 3487-3490
-
-
Budzinski, E.E.1
Box, H.C.2
-
11
-
-
0026332626
-
Electron trapping and reactions in rhamnose by ESR and ENDOR
-
E. Sagstuen, M. Lindgren and A. Lund, Electron trapping and reactions in rhamnose by ESR and ENDOR. Radiat. Res. 128, 235-242 (1991).
-
(1991)
Radiat. Res
, vol.128
, pp. 235-242
-
-
Sagstuen, E.1
Lindgren, M.2
Lund, A.3
-
12
-
-
33745767792
-
Study of rhamnose radicals in the solid state adopting a density functional theory cluster approach
-
E. Pauwels, V. Van Speybroeck and M. Waroquier, Study of rhamnose radicals in the solid state adopting a density functional theory cluster approach. J. Phys. Chem. A 110, 6504-6513 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 6504-6513
-
-
Pauwels, E.1
Van Speybroeck, V.2
Waroquier, M.3
-
13
-
-
0001064332
-
Neutron-diffraction refinement of crystal structure of alpha-1-rhamnose monohydrate
-
S. Takagi and G. A. Jeffrey, Neutron-diffraction refinement of crystal structure of alpha-1-rhamnose monohydrate. Acta Cryst. B 34, 2551-2555 (1978).
-
(1978)
Acta Cryst. B
, vol.34
, pp. 2551-2555
-
-
Takagi, S.1
Jeffrey, G.A.2
-
14
-
-
39749104937
-
-
CPMD V3.11. ©IBM Corp. 1996-2006, ©MPI für Festkörperforschung Stuttgart 1997-2001.
-
CPMD V3.11. ©IBM Corp. 1996-2006, ©MPI für Festkörperforschung Stuttgart 1997-2001.
-
-
-
-
15
-
-
5944261746
-
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
-
J. P. Perdew, Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys. Rev. B 33, 8822-8824 (1986).
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822-8824
-
-
Perdew, J.P.1
-
16
-
-
77956779984
-
Density-functional thermochemistry 1: The effect of the exchange-only gradient correction
-
A. D. Becke, Density-functional thermochemistry 1: the effect of the exchange-only gradient correction. J. Chem. Phys. 96, 2155-2160 (1992).
-
(1992)
J. Chem. Phys
, vol.96
, pp. 2155-2160
-
-
Becke, A.D.1
-
17
-
-
20544463457
-
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
-
D. Vanderbilt, Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B 41, 7892-7895 (1990).
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892-7895
-
-
Vanderbilt, D.1
-
19
-
-
33845265639
-
First-principles calculations of hyperfine parameters with the Gaussian and augmented-plane-wave method: Application to radicals embedded in a crystalline environment
-
R. Declerck, E. Pauwels, V. Van Speybroeck and M. Waroquier, First-principles calculations of hyperfine parameters with the Gaussian and augmented-plane-wave method: Application to radicals embedded in a crystalline environment. Phys. Rev. B 74, 245103 (2006).
-
(2006)
Phys. Rev. B
, vol.74
, pp. 245103
-
-
Declerck, R.1
Pauwels, E.2
Van Speybroeck, V.3
Waroquier, M.4
-
20
-
-
11444250501
-
Evaluation of different model space approaches based on DFT to examine the EPR parameters of a radiation-induced radical in solid-state alpha glycine
-
E. Pauwels, V. Van Speybroeck and M. Waroquier, Evaluation of different model space approaches based on DFT to examine the EPR parameters of a radiation-induced radical in solid-state alpha glycine. J. Phys. Chem. A 108, 11321-11332 (2004).
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 11321-11332
-
-
Pauwels, E.1
Van Speybroeck, V.2
Waroquier, M.3
-
21
-
-
33644906103
-
Comparing DFT cluster calculations with magnetic resonance experiments
-
Radiation-induced radicals in alpha-D-glucose
-
E. Pauwels, V. Van Speybroeck and M. Waroquier, Radiation-induced radicals in alpha-D-glucose: Comparing DFT cluster calculations with magnetic resonance experiments. Spectrochim. Acta A 63, 795-801 (2006).
-
(2006)
Spectrochim. Acta A
, vol.63
, pp. 795-801
-
-
Pauwels, E.1
Van Speybroeck, V.2
Waroquier, M.3
-
22
-
-
39749167228
-
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin and J. A. Pople, Gaussian 03, Revision B.03. Gaussian, Inc., Wallingford, CT, 2004.
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin and J. A. Pople, Gaussian 03, Revision B.03. Gaussian, Inc., Wallingford, CT, 2004.
-
-
-
-
23
-
-
11144255959
-
Density-functional thermochemistry 4: A new dynamical correlation functional and implications for exact-exchange mixing
-
A. D. Becke, Density-functional thermochemistry 4: a new dynamical correlation functional and implications for exact-exchange mixing. J. Chem. Phys. 104, 1040-1046 (1996).
-
(1996)
J. Chem. Phys
, vol.104
, pp. 1040-1046
-
-
Becke, A.D.1
-
24
-
-
26844534384
-
Self-consistent molecular-orbital methods 20: Basis set for correlated wave-functions
-
R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, Self-consistent molecular-orbital methods 20: basis set for correlated wave-functions. J. Chem. Phys. 72, 650-654 (1980).
-
(1980)
J. Chem. Phys
, vol.72
, pp. 650-654
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
25
-
-
0141509423
-
Contracted Gaussian-basis sets for molecular calculations 1: 2nd row atoms, z = 11-18
-
A. D. McLean and G. S. Chandler, Contracted Gaussian-basis sets for molecular calculations 1: 2nd row atoms, z = 11-18. J. Chem. Phys. 72, 5639-5648 (1980).
-
(1980)
J. Chem. Phys
, vol.72
, pp. 5639-5648
-
-
McLean, A.D.1
Chandler, G.S.2
-
26
-
-
2442617487
-
Self-consistent molecular-orbital methods 21: Small split-valence basis sets for 1st-row elements
-
J. S. Binkley, J. A. Pople and W. J. Hehre, Self-consistent molecular-orbital methods 21: small split-valence basis sets for 1st-row elements. J. Am. Chem. Soc. 102, 939-947 (1980).
-
(1980)
J. Am. Chem. Soc
, vol.102
, pp. 939-947
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
27
-
-
33845555195
-
Self-consistent molecular-orbital methods 22: Small split-valence basis sets for 2nd-row elements
-
M. S. Gordon, J. S. Binkley, J. A. Pople, W. J. Pietro and W. J. Hehre, Self-consistent molecular-orbital methods 22: small split-valence basis sets for 2nd-row elements J. Am. Chem. Soc. 104, 2797-2803 (1982).
-
(1982)
J. Am. Chem. Soc
, vol.104
, pp. 2797-2803
-
-
Gordon, M.S.1
Binkley, J.S.2
Pople, J.A.3
Pietro, W.J.4
Hehre, W.J.5
-
28
-
-
33645072745
-
First-principles calculation of the EPR g tensor in extended periodic systems
-
R. Declerck, V. Van Speybroeck and M. Waroquier, First-principles calculation of the EPR g tensor in extended periodic systems. Phys. Rev. B 73, 115113 (2006).
-
(2006)
Phys. Rev. B
, vol.73
, pp. 115113
-
-
Declerck, R.1
Van Speybroeck, V.2
Waroquier, M.3
-
29
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
A. D. Becke, Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 38, 3098-3100 (1988).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
30
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
C. T. Lee, W. T. Yang and R. G. Parr, Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 37, 785-789 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
31
-
-
0000160164
-
Separable dual-space Gaussian pseudopotentials
-
S. Goedecker, M. Teter and J. Hutter, Separable dual-space Gaussian pseudopotentials. Phys. Rev. B 54, 1703-1710 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 1703-1710
-
-
Goedecker, S.1
Teter, M.2
Hutter, J.3
-
32
-
-
0002036605
-
Mémoire sur la décomposition de l'eau et des corps qu'elle tient en dissolution à l'aide de l'électricité galvanique.
-
C. J. T. de Grotthuss, Mémoire sur la décomposition de l'eau et des corps qu'elle tient en dissolution à l'aide de l'électricité galvanique. Ann. Chim. 58, 54-74 (1806).
-
(1806)
Ann. Chim
, vol.58
, pp. 54-74
-
-
de Grotthuss, C.J.T.1
-
33
-
-
33748897143
-
-
C. J. T. de Grotthuss, Memoir on the decomposition of water and of the bodies that it holds in solution by means of galvanic electricity. Biochim. Biophys. Acta 1757, 871-875 (2006). [English translation by R. Pomès]
-
C. J. T. de Grotthuss, Memoir on the decomposition of water and of the bodies that it holds in solution by means of galvanic electricity. Biochim. Biophys. Acta 1757, 871-875 (2006). [English translation by R. Pomès]
-
-
-
-
34
-
-
11744384413
-
The Grotthuss mechanism
-
N. Agmon, The Grotthuss mechanism. Chem. Phys. Lett. 244, 456-462 (1995).
-
(1995)
Chem. Phys. Lett
, vol.244
, pp. 456-462
-
-
Agmon, N.1
-
35
-
-
33748889129
-
Special issue on proton transfer in biological systems - Preface
-
P. Adelröth, Special issue on proton transfer in biological systems - Preface. Biochim. Biophys. Acta 1757, 867-870 (2006).
-
(2006)
Biochim. Biophys. Acta
, vol.1757
, pp. 867-870
-
-
Adelröth, P.1
-
36
-
-
0028020369
-
The influence of packing on free radical yields in crystalline nucleic acids - the pyrimidine bases
-
W. A. Bernhard, J. Barnes, K. R. Mercer and N. Mroczka, The influence of packing on free radical yields in crystalline nucleic acids - the pyrimidine bases. Radiat. Res. 140, 199-214 (1994).
-
(1994)
Radiat. Res
, vol.140
, pp. 199-214
-
-
Bernhard, W.A.1
Barnes, J.2
Mercer, K.R.3
Mroczka, N.4
-
37
-
-
0031973837
-
Electron spin resonance and electron nuclear double resonance study of X-irradiated deoxyadenosine: Proton transfer behavior of primary ionic radicals
-
W. H. Nelson, E. Sagstuen, E. O. Hole and D. M. Close, Electron spin resonance and electron nuclear double resonance study of X-irradiated deoxyadenosine: Proton transfer behavior of primary ionic radicals. Radiat. Res. 149, 75-86 (1998).
-
(1998)
Radiat. Res
, vol.149
, pp. 75-86
-
-
Nelson, W.H.1
Sagstuen, E.2
Hole, E.O.3
Close, D.M.4
-
38
-
-
0034300984
-
Experimental and theoretical investigation of the mechanism of radiation-induced radical formation in hydrogen-bonded cocrystals of 1-methylcytosine and 5-fluorouracil
-
D. M. Close, L. A. Eriksson, E. O. Hole, E. Sagstuen and W. H. Nelson, Experimental and theoretical investigation of the mechanism of radiation-induced radical formation in hydrogen-bonded cocrystals of 1-methylcytosine and 5-fluorouracil. J. Phys. Chem. B 104, 9343-9350 (2000).
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 9343-9350
-
-
Close, D.M.1
Eriksson, L.A.2
Hole, E.O.3
Sagstuen, E.4
Nelson, W.H.5
-
39
-
-
0000276418
-
Structure, magnetic properties and reactivities of open-shell species from density functional and self-consistent hybrid methods
-
D. P. Chong, Ed, pp, World Scientific, Singapore
-
V. Barone, Structure, magnetic properties and reactivities of open-shell species from density functional and self-consistent hybrid methods. In Recent Advances in Density Functional Methods, Part I (D. P. Chong, Ed.), pp. 287-334. World Scientific, Singapore, 1995.
-
(1995)
Recent Advances in Density Functional Methods, Part I
, pp. 287-334
-
-
Barone, V.1
-
40
-
-
33749043747
-
Et tu, Grotthuss! and other unfinished stories
-
S. Cukierman, Et tu, Grotthuss! and other unfinished stories. Biochim. Biophys. Acta 1757, 876-885 (2006).
-
(2006)
Biochim. Biophys. Acta
, vol.1757
, pp. 876-885
-
-
Cukierman, S.1
-
41
-
-
0036225143
-
+ conduction in the single-file water chain of the gramicidin channel
-
+ conduction in the single-file water chain of the gramicidin channel. Biophys. J. 82, 2304-2316 (2002).
-
(2002)
Biophys. J
, vol.82
, pp. 2304-2316
-
-
Pomès, R.1
Roux, B.2
-
42
-
-
0031862465
-
+ conduction along hydrogen-bonded chains of water molecules
-
+ conduction along hydrogen-bonded chains of water molecules. Biophys. J. 75, 33-40 (1998).
-
(1998)
Biophys. J
, vol.75
, pp. 33-40
-
-
Pomès, R.1
Roux, B.2
-
43
-
-
0001300510
-
A variation of the alkoxy radical
-
H. C. Box and E. E. Budzinski, A variation of the alkoxy radical. J. Chem. Phys. 79, 4142-4145 (1983).
-
(1983)
J. Chem. Phys
, vol.79
, pp. 4142-4145
-
-
Box, H.C.1
Budzinski, E.E.2
|