-
1
-
-
9944265840
-
-
10.1021/jp046660y 1:CAS:528:DC%2BD2cXosFSjt7s%3D
-
D. M. Close 2004 J. Phys. Chem. A 108 10376 10.1021/jp046660y 1:CAS:528:DC%2BD2cXosFSjt7s%3D
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 10376
-
-
Close, D.M.1
-
2
-
-
0034615898
-
Theoretical calculation of ionization potentials for disubstituted benzenes: Additivity vs non-additivity of substituent effects
-
DOI 10.1021/jo991833e
-
A. D. Gino A. P. Derek S. W. James 2000 J. Org. Chem. 65 2195 10.1021/jo991833e (Pubitemid 30193908)
-
(2000)
Journal of Organic Chemistry
, vol.65
, Issue.7
, pp. 2195-2203
-
-
DiLabio, G.A.1
Pratt, D.A.2
Wright, J.S.3
-
4
-
-
0001743861
-
-
10.1016/S0009-2614(99)00786-1 1:CAS:528:DyaK1MXmt1Cntbs%3D
-
G. A. Dilabio D. A. Pratt J. S. Wright 1999 Chem. Phys. Lett. 311 215 10.1016/S0009-2614(99)00786-1 1:CAS:528:DyaK1MXmt1Cntbs%3D
-
(1999)
Chem. Phys. Lett.
, vol.311
, pp. 215
-
-
Dilabio, G.A.1
Pratt, D.A.2
Wright, J.S.3
-
7
-
-
1442337289
-
-
10.1021/jp035951o 1:CAS:528:DC%2BD2cXhtFahsb4%3D
-
P. Li Y. X. Bu H. Q. Ai 2004 J. Phys. Chem. A 108 1200 10.1021/jp035951o 1:CAS:528:DC%2BD2cXhtFahsb4%3D
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 1200
-
-
Li, P.1
Bu, Y.X.2
Ai, H.Q.3
-
8
-
-
0035909710
-
Investigation of proton transfer within DNA base pair anion and cation radicals by density functional theory (DFT)
-
DOI 10.1021/jp012364z
-
X. F. Li Z. L. Cai M. D. Sevilla 2001 J. Phys. Chem. B 105 10115 10.1021/jp012364z 1:CAS:528:DC%2BD3MXmvFChu7c%3D (Pubitemid 35338627)
-
(2001)
Journal of Physical Chemistry B
, vol.105
, Issue.41
, pp. 10115-10123
-
-
Li, X.1
Cai, Z.2
Sevilla, M.D.3
-
9
-
-
84961980336
-
Dehalogenation of 5-halouracils after low energy electron attachment: A density functional theory investigation
-
DOI 10.1021/jp021669q
-
X. F. Li L. Sanche M. D. Sevilla 2002 J. Phys. Chem. A 106 11248 10.1021/jp021669q 1:CAS:528:DC%2BD38XotFGgu7k%3D (Pubitemid 35433886)
-
(2002)
Journal of Physical Chemistry A
, vol.106
, Issue.46
, pp. 11248-11253
-
-
Li, X.1
Sanche, L.2
Sevilla, M.D.3
-
10
-
-
0037187138
-
DFT calculations of the electron affinities of nucleic acid bases: Dealing with negative electron affinities
-
DOI 10.1021/jp013337b
-
X. F. Li Z. L. Cai M. D. Sevilla 2002 J. Phys. Chem. A 106 1596 10.1021/jp013337b 1:CAS:528:DC%2BD38XotV2nsQ%3D%3D (Pubitemid 35264251)
-
(2002)
Journal of Physical Chemistry A
, vol.106
, Issue.8
, pp. 1596-1603
-
-
Li, X.1
Cai, Z.2
Sevilla, M.D.3
-
11
-
-
0037058030
-
Energetics of the radical ions of the At and AU base pairs: A Density Functional Theory (DFT) study
-
DOI 10.1021/jp021322n
-
X. F. Li Z. L. Cai M. D. Sevilla 2002 J. Phys. Chem. A 106 9345 10.1021/jp021322n 1:CAS:528:DC%2BD38XmvVGms74%3D (Pubitemid 35382369)
-
(2002)
Journal of Physical Chemistry A
, vol.106
, Issue.40
, pp. 9345-9351
-
-
Li, X.1
Cai, Z.2
Sevilla, M.D.3
-
15
-
-
0036607086
-
-
10.1016/S1387-3806(02)00578-X 1:CAS:528:DC%2BD38XksVakurw%3D
-
S. Bourcier Y. Hoppilliard 2002 Int. J. Mass Spectrom. 217 231 10.1016/S1387-3806(02)00578-X 1:CAS:528:DC%2BD38XksVakurw%3D
-
(2002)
Int. J. Mass Spectrom.
, vol.217
, pp. 231
-
-
Bourcier, S.1
Hoppilliard, Y.2
-
17
-
-
84962377196
-
A theoretical study of 5-halouracils: Electron affinities, ionization potentials and dissociation of the related anions
-
DOI 10.1016/S0009-2614(01)00652-2, PII S0009261401006522
-
S. D. Wetmore R. J. Boyd L. A. Eriksson 2001 Chem. Phys. Lett. 343 151 10.1016/S0009-2614(01)00652-2 1:CAS:528:DC%2BD3MXlsVWgs7c%3D (Pubitemid 33630819)
-
(2001)
Chemical Physics Letters
, vol.343
, Issue.1-2
, pp. 151-158
-
-
Wetmore, S.D.1
Boyd, R.J.2
Eriksson, L.A.3
-
19
-
-
0033035657
-
Classification of organic molecules to obtain electron affinities from half-wave reduction potentials: Cytosine, uracil, thymine, guanine and adenine
-
DOI 10.1016/S0302-4598(98)00211-6, PII S0302459898002116
-
E. S. D. Chen E. C. M. Chen N. Sane S. Shulze 1999 Bioelectrochem. Bioenergetics 48 69 10.1016/S0302-4598(98)00211-6 (Pubitemid 29150364)
-
(1999)
Bioelectrochemistry and Bioenergetics
, vol.48
, Issue.1
, pp. 69-78
-
-
Chen, E.S.D.1
Chen, E.C.M.2
Sane, N.3
Shulze, S.4
-
21
-
-
0033595545
-
Ab initio study of the electronic spectrum of formamide with explicit solvent
-
DOI 10.1021/ja990064d
-
N. A. Besley J. D. Hirst 1999 J. Am. Chem. Soc. 121 8559 10.1021/ja990064d 1:CAS:528:DyaK1MXlsFSmsLY%3D (Pubitemid 29453392)
-
(1999)
Journal of the American Chemical Society
, vol.121
, Issue.37
, pp. 8559-8566
-
-
Besley, N.A.1
Hirst, J.D.2
-
22
-
-
0141788879
-
-
10.1016/S0009-2614(03)01217-X 1:CAS:528:DC%2BD3sXmsVOktr0%3D
-
A. P. Fu D. M. Du Z. Y. Zhou 2003 Chem. Phys. Lett. 377 537 10.1016/S0009-2614(03)01217-X 1:CAS:528:DC%2BD3sXmsVOktr0%3D
-
(2003)
Chem. Phys. Lett.
, vol.377
, pp. 537
-
-
Fu, A.P.1
Du, D.M.2
Zhou, Z.Y.3
-
23
-
-
0037418662
-
-
10.1016/S0166-1280(02)00772-8 1:CAS:528:DC%2BD3sXhs1Wqurs%3D
-
A. P. Fu D. M. Du Z. Y. Zhou 2003 J. Mol. Struct (Theochem) 623 315 10.1016/S0166-1280(02)00772-8 1:CAS:528:DC%2BD3sXhs1Wqurs%3D
-
(2003)
J. Mol. Struct (Theochem)
, vol.623
, pp. 315
-
-
Fu, A.P.1
Du, D.M.2
Zhou, Z.Y.3
-
24
-
-
20344385547
-
Density functional theory study of the hydrogen bonding interaction in formamide dimer
-
DOI 10.1016/j.theochem.2005.01.014, PII S016612800500028X
-
J. F. Lu Z. Y. Zhou Q. Y. Wu G. Zhao 2005 J. Mol. Struct (Theochem) 724 107 10.1016/j.theochem.2005.01.014 1:CAS:528:DC%2BD2MXlt1Ghsb0%3D (Pubitemid 40792996)
-
(2005)
Journal of Molecular Structure: THEOCHEM
, vol.724
, Issue.1-3
, pp. 107-114
-
-
Lu, J.-F.1
Zhou, Z.-Y.2
Wu, Q.-Y.3
Zhao, G.4
-
26
-
-
0000904367
-
-
10.1021/j100016a026 1:CAS:528:DyaK2MXkvFGjtbY%3D
-
J. Florian B. G. Johnson 1995 J. Phys. Chem. 99 5899 10.1021/j100016a026 1:CAS:528:DyaK2MXkvFGjtbY%3D
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 5899
-
-
Florian, J.1
Johnson, B.G.2
-
31
-
-
0001319352
-
-
10.1021/j100066a011 1:CAS:528:DyaK2cXitlSqt7Y%3D
-
D. A. Dixon N. Matsuzawa 1994 J. Phys. Chem. 98 3967 10.1021/j100066a011 1:CAS:528:DyaK2cXitlSqt7Y%3D
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 3967
-
-
Dixon, D.A.1
Matsuzawa, N.2
-
32
-
-
0346175395
-
-
10.1021/j100065a023 1:CAS:528:DyaK2cXitFylsr0%3D
-
J. Florian N. Matsuzawa 1994 J. Phys. Chem. 98 3681 10.1021/j100065a023 1:CAS:528:DyaK2cXitFylsr0%3D
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 3681
-
-
Florian, J.1
Matsuzawa, N.2
-
34
-
-
84962428785
-
-
10.1002/(SICI)1096-987X(199803)19:4<404::AID-JCC3>3.0.CO;2-W 1:CAS:528:DyaK1cXhs1aktbs%3D
-
V. Barone M. Cossi J. Tomasi 1998 J. Comput. Chem. 19 404 10.1002/(SICI)1096-987X(199803)19:4<404::AID-JCC3>3.0.CO;2-W 1:CAS:528:DyaK1cXhs1aktbs%3D
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 404
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
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