-
1
-
-
0004066445
-
-
ADF2005.01; SCM, Vrije Universiteit: Amsterdam, The Netherlands
-
ADF2005.01; SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands, 2006.
-
(2006)
Theoretical Chemistry
-
-
-
3
-
-
0001737663
-
-
Allmger, N.L.; J.T. Fermann, W. D. AUen, H.F. Schaefer III. J. Chem. Phys., 106, 5143(1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 5143
-
-
Allmger, N.L.1
Fermann, J.T.2
Auen, W.D.3
Schaefer III, H.F.4
-
5
-
-
0002343651
-
-
Bawagan, A.O., Brion, C.E., Davidson, E. R. and Feller, D., Chem. Phys., 113, 19(1987).
-
(1987)
Chem. Phys.
, vol.113
, pp. 19
-
-
Bawagan, A.O.1
Brion, C.E.2
Davidson, E.R.3
Feller, D.4
-
9
-
-
0003622715
-
-
Eds. Seminario, J.M. andPolitzer, P. Elsevier, Amsterdam
-
Burke, K.; Perdew, J.P. and Levy, M. Modern Density Functional Theory: A Tool for Chemistry, (Eds.) Seminario, J.M. andPolitzer, P., Elsevier, Amsterdam, 1994.
-
(1994)
Modern Density Functional Theory: A Tool for Chemistry
-
-
Burke, K.1
Perdew, J.P.2
Levy, M.3
-
10
-
-
0002961436
-
-
Clark, S. A. C; T. J. Reddish, C. E. Brion, E. R. Davidson and C. Boyle, Chem Phys., 143, 1(1990).
-
(1990)
Chem Phys.
, vol.143
, pp. 1
-
-
Clark, S.A.C.1
Reddish, T.J.2
Brion, C.E.3
Davidson, E.R.4
Boyle, C.5
-
11
-
-
72749125237
-
A high-resolution (e, 2e) spectro-meter employing asymmetric non-coplanar kinematics
-
Eds. F. Wang and M. J. Brunger, Research Signpost, Kerala, India
-
Chen, X. J., Xu S. and K. Xu, "A High-resolution (e, 2e) Spectro-meter Employing Asymmetric Non-coplanar Kinematics", in "Nanoscale interactions and their applications: Essays in Honour of lanMcCarthy". Eds. F. Wang and M. J. Brunger, Research Signpost, Kerala, India, 2007, pp37-48.
-
(2007)
Nanoscale Interactions and their Applications: Essays in Honour of LanMcCarthy
, pp. 37-48
-
-
Xu, S.1
Chen, X.J.2
Xu, K.3
-
12
-
-
65449153578
-
-
(Chinese), Tsinghua University Press, Beijing, China
-
Chen, X. J. and Y. Y. Zheng, "Principles and applications of electron momentum spectroscopy" (Chinese), Tsinghua University Press, Beijing, China, 2000.
-
(2000)
Principles and Applications of Electron Momentum Spectroscopy
-
-
Chen, X.J.1
Zheng, Y.Y.2
-
13
-
-
2542503302
-
-
Chong, D. P.; E., van Lenthe; S., van Gisbergen; and E. J. Baerends, J. Comput. Chem., 24, 1030(2004).
-
(2004)
J. Comput. Chem.
, vol.24
, pp. 1030
-
-
Chong, D.P.1
Baerends, E.J.2
Van Lenthe, E.3
Van Gisbergen, S.4
-
16
-
-
33749618638
-
-
da Silva, R. R.; Ramalho, T. C.; Santos, J. M.; Figueroa-Villar, J. D. J. Phys. Chem. A., 110, 1031(2006).
-
(2006)
J. Phys. Chem. A.
, vol.110
, pp. 1031
-
-
Da Silva, R.R.1
Ramalho, T.C.2
Santos, J.M.3
Figueroa-Villar, J.D.4
-
19
-
-
72749115748
-
Studies of electron momentum spectroscopy at tsinghua university in Beijing
-
Eds. F. Wang and M. J. Brunger, Research Signpost, Kerala, India
-
Deng, J. K., C. G. Ning, X. G. Ren, G. L. Su, S. F. Zhang, Y.R. Huang, and T.C. Yang, "Studies of Electron Momentum Spectroscopy at Tsinghua University in Beijing" in "Nanoscale interactions and their applications: Essays in Honour of Ian McCarthy". Eds. F. Wang and M. J. Brunger, Research Signpost, Kerala, India, 2007, pp49-67.
-
(2007)
Nanoscale Interactions and Their Applications: Essays in Honour of Ian McCarthy
, pp. 49-67
-
-
Deng, J.K.1
Ning, C.G.2
Ren, X.G.3
Su, G.L.4
Zhang, S.F.5
Huang, Y.R.6
Yang, T.C.7
-
20
-
-
0035124931
-
-
Deng, J. K., G. Q. Li, Y. He, J. D. Huang, H. Deng, X. D. Wang, F. Wang, Y. A. Zhang, C. G. Ning, F. Gao, X. J. Chen, Y. Zheng, J. Chem. Phys., 114, 882(2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 882
-
-
Deng, J.K.1
Li, G.Q.2
He, Y.3
Huang, J.D.4
Deng, H.5
Wang, X.D.6
Wang, F.7
Zhang, Y.A.8
Ning, C.G.9
Gao, F.10
Chen, X.J.11
Zheng, Y.12
-
21
-
-
26144474798
-
-
Deng, J. K., G. Q. Li, J. D. Huang, H. Deng, X. D. Wang, F. Wang, Y. He, Y A. Zhang, C. G. Ning, N. F. Gao, Y. Wang, X. J. Chen, Y. Zheng, C. E. Brion, Chem. Phys. Lett., 134, 313(1999).
-
(1999)
Chem. Phys. Lett.
, vol.134
, pp. 313
-
-
Deng, J.K.1
Li, G.Q.2
Huang, J.D.3
Deng, H.4
Wang, X.D.5
Wang, F.6
He, Y.7
Zhang, Y.A.8
Ning, C.G.9
Gao, N.F.10
Wang, Y.11
Chen, X.J.12
Zheng, Y.13
Brion, C.E.14
-
22
-
-
0034645605
-
-
Dolgounitcheva, O.; Zakreski, V. G.; Ortiz, J. V. J. Am., Chem. Soc. 122, 12304(2000).
-
(2000)
J. Am., Chem. Soc.
, vol.122
, pp. 12304
-
-
Dolgounitcheva, O.1
Zakreski, V.G.2
Ortiz, J.V.3
-
24
-
-
0000955906
-
-
Duffy, P., Chong, D.P., Casida, M.E. and Salahub, D.R., Phys. Rev. A 50, 4707(1994).
-
(1994)
Phys. Rev. A
, vol.50
, pp. 4707
-
-
Duffy, P.1
Chong, D.P.2
Casida, M.E.3
Salahub, D.R.4
-
25
-
-
72749104215
-
-
Duffy, P. J. A. Sordo, F. Chen and F. Wang, (in preparation, 2007)
-
Duffy, P., J. A. Sordo, F. Chen and F. Wang, (in preparation, 2007).
-
-
-
-
28
-
-
33745432016
-
-
Falzon C. T., F. Wang, and W. N. Pang, J. Phys. Chem. B, 110, 9713(2006).
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 9713
-
-
Falzon, C.T.1
Wang, F.2
Pang, W.N.3
-
30
-
-
33645657530
-
-
Fonseca Guerra, C; F.M. Bickelhaupt, S. Saha and F.Wang, J. Phys. Chem. A 110, 4012(2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 4012
-
-
Fonseca Guerra, C.1
Bickelhaupt, F.M.2
Saha, S.3
Wang, F.4
-
31
-
-
0042709254
-
-
Gritsenko, O. V.; B. Braïda, a) and E. J. Baerends, J. Chem. Phys, 119, 1937(2003).
-
(2003)
J. Chem. Phys
, vol.119
, pp. 1937
-
-
Gritsenko, O.V.1
Braïda, B.2
Baerends, E.J.3
-
34
-
-
1342323567
-
-
Hanus, M.; M. Kabelac, J. Rejnek, F. Ryjacek and P. Hobza, J. Phys. Chem. B 108, 2087(2004).
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 2087
-
-
Hanus, M.1
Kabelac, M.2
Rejnek, J.3
Ryjacek, F.4
Hobza, P.5
-
35
-
-
0037424599
-
-
Harris, V.H.; C.L. Smith, W.J. Cummins, A.L. Hamilton, H. Adams, M. Dickman, D.P. Hornby and D.M. Williams, J. Mol. Biol. 326, 1389(2003).
-
(2003)
J. Mol. Biol.
, vol.326
, pp. 1389
-
-
Harris, V.H.1
Smith, C.L.2
Cummins, W.J.3
Hamilton, A.L.4
Adams, H.5
Dickman, M.6
Hornby, D.P.7
Williams, D.M.8
-
36
-
-
33846060770
-
-
Harada, Y.; T. Takeuchi, H. Kino, A. Fukushima, K. Takaura, K. Hieda, A. Nakao, S. Shin and H. Fukuyama, J. Phys. Chem. A, 110(2006)13227.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 13227
-
-
Harada, Y.1
Takeuchi, T.2
Kino, H.3
Fukushima, A.4
Takaura, K.5
Hieda, K.6
Nakao, A.7
Shin, S.8
Fukuyama, H.9
-
37
-
-
11344255750
-
-
Hérrera, B., O. Dolgounitcheva, V. G. Zakrzewski, A. Toro-Labbé, J. V. Ortiz, J. Phys. Chem. A., 108, 11703 (2004).
-
(2004)
J. Phys. Chem. A.
, vol.108
, pp. 11703
-
-
Hérrera B1
Dolgounitcheva, O.2
Zakrzewski, V.G.3
Toro-Labbé, A.4
Ortiz, J.V.5
-
40
-
-
0024209272
-
-
Isono, K.; J. Antibiot, 12, 1711(1988)
-
Isono, K.; J. Antibiot, 12, 1711(1988).
-
-
-
-
42
-
-
33646346137
-
-
Jones, D. B., F. Wang, M. J. Brunger and D. A. Winkler, Biophys. Chem., 121, 105(2006).
-
(2006)
Biophys. Chem.
, vol.121
, pp. 105
-
-
Jones, D.B.1
Wang, F.2
Brunger, M.J.3
Winkler, D.A.4
-
43
-
-
0242443269
-
-
Khajuria, Y., M.Takahashi, and Y.Udagawa, J.Electron Spectrosc. & Related Phon. 133, 113(2003).
-
(2003)
J.Electron Spectrosc. & Related Phon.
, vol.133
, pp. 113
-
-
Khajuria, Y.1
Takahashi, M.2
Udagawa, Y.3
-
44
-
-
0004033856
-
-
Japan Scientific Society, Tokyo
-
Kimura, K., S. Katsumata, Y. Achiba, T. Yamazaki, and S. Iwata, "Handbook of HeI photoelectron spectra of fundamental organic molecules", Japan Scientific Society, Tokyo, 1981.
-
(1981)
Handbook of HeI Photoelectron Spectra of Fundamental Organic Molecules
-
-
Kimura, K.1
Katsumata, S.2
Achiba, Y.3
Yamazaki, T.4
Iwata, S.5
-
47
-
-
0345491105
-
-
Lee, C, Yang, W. and Parr, R. G., 1988, Phys. Rev. B, 37, 785(1988).
-
(1988)
1988, Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
48
-
-
0037449395
-
-
Lee, K.T.; J.H. Sung, K.J. Lee, S.K. Kim and Y.D. Park, Chem. Phys. Lett. 368, 262(2003).
-
(2003)
Chem. Phys. Lett.
, vol.368
, pp. 262
-
-
Lee, K.T.1
Sung, J.H.2
Lee, K.J.3
Kim, S.K.4
Park, Y.D.5
-
49
-
-
0037021017
-
-
Lee, K.T.; J. Sung, K.J. Lee, Y.D. Park and S.K. Kim, Angew. Chem. Inter. Ed. 41, 4114(2002).
-
(2002)
Angew. Chem. Inter. Ed.
, vol.41
, pp. 4114
-
-
Lee, K.T.1
Sung, J.2
Lee, K.J.3
Park, Y.D.4
Kim, S.K.5
-
52
-
-
33644785254
-
-
Magulick, J.; M. M. Beerbom, B. Lahel and R. Schlaf, J. Phys. Chem. B, 110, 2692(2006).
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 2692
-
-
Magulick, J.1
Beerbom, M.M.2
Lahel, B.3
Schlaf, R.4
-
56
-
-
0035289048
-
-
Mochzuki, Y.; H. Koide, T. Imamura, H. Takemiya, J Synchrotron Rad., 8, 1003(2001).
-
(2001)
J Synchrotron Rad.
, vol.8
, pp. 1003
-
-
Mochzuki, Y.1
Koide, H.2
Imamura, T.3
Takemiya, H.4
-
58
-
-
0029820807
-
-
Neville, J. J., Y. Zheng, C. E. Brion, J. Am. Chem. Soc., 118, 10533 (1996).
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 10533
-
-
Neville, J.J.1
Zheng, Y.2
Brion, C.E.3
-
61
-
-
7544227472
-
-
Ning, CG., Deng, J.K. et al., Rev. Sci. Instrum., 73, 3062(2004).
-
(2004)
Rev. Sci. Instrum.
, vol.73
, pp. 3062
-
-
Ning, C.G.1
Deng, J.K.2
-
62
-
-
72749086175
-
-
under review
-
Nixon, K. L., WD Lawrance, DB Jones, P. Euripidies, S Saha, F Wang and MJ Brunger, Chem. Phys. Lett. (under review, 2007).
-
(2007)
Chem. Phys. Lett.
-
-
Nixon, K.L.1
Lawrance, W.D.2
Jones, D.B.3
Euripidies, P.4
Saha, S.5
Wang, F.6
Brunger, M.J.7
-
63
-
-
0034128413
-
-
Ohlstein, E. H., R. R. Ruffolo Jr., and J. D. Elliott, Ann. Rev. Pharm. & Toxi., 40, 177(2004).
-
(2004)
Ann. Rev. Pharm. & Toxi.
, vol.40
, pp. 177
-
-
Ohlstein, E.H.1
Ruffolo Jr., R.R.2
Elliott, J.D.3
-
64
-
-
0345081210
-
-
Pang, W. N., R. Shang, N. Gao, W. Zhang, J. Gao, J. Deng, X. Chen, Y. Zheng, Phys. Lett. A, 203, 248(1998).
-
(1998)
Phys. Lett. A
, vol.203
, pp. 248
-
-
Pang, W.N.1
Shang, R.2
Gao, N.3
Zhang, W.4
Gao, J.5
Deng, J.6
Chen, X.7
Zheng, Y.8
-
65
-
-
33847644968
-
-
Plekan, O.; V. Feyer, R. Richter, M. Coerno, M. De Simone, K. C. Prince and V. Carravetta, J. Ele. Spectrosco. & Related Phenon., 155, 47(2006).
-
(2006)
J. Ele. Spectrosco. & Related Phenon.
, vol.155
, pp. 47
-
-
Plekan, O.1
Feyer, V.2
Richter, R.3
Coerno, M.4
De Simone, M.5
Prince, K.C.6
Carravetta, V.7
-
66
-
-
0034628434
-
-
Porath, D.; A. Bezryadin, S. De Vries, C. Dekka, Nature, 403, 635(2000).
-
(2000)
Nature
, vol.403
, pp. 635
-
-
Porath, D.1
Bezryadin, A.2
De Vries, S.3
Dekka, C.4
-
67
-
-
72749119760
-
-
private communications
-
Pratt, D., (2006) private communications.
-
(2006)
-
-
Pratt, D.1
-
69
-
-
85052945584
-
Density functional theory in drug design - the chemistry of the anti-tumor drug cisplatin and photoactive psoralen compounds
-
Eds. P. Carloni and F. Alber, Wiley-VCH, Weinheim, Germany
-
Raber, J., J. Liano and L. A. Eriksson, "Density functional theory in drug design - the chemistry of the anti-tumor drug cisplatin and photoactive psoralen compounds", in "Quantum Medicinal Chemistry", Eds. P. Carloni and F. Alber, Wiley-VCH, Weinheim, Germany, 2003, pp 113.
-
(2003)
Quantum Medicinal Chemistry
, pp. 113
-
-
Raber, J.1
Liano, J.2
Eriksson, L.A.3
-
72
-
-
0027219494
-
-
Roey, P. V., E. W. Taylor, C. K. Chu and R. F. Schinazil, J. Am. Chem. Soc., 115, 5365(1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 5365
-
-
Roey, P.V.1
Taylor, E.W.2
Chu, C.K.3
Schinazil, R.F.4
-
73
-
-
31544436622
-
-
Rubina, A.Y.; Y.V. Rubin, V.A. Sorokin, M.K. Shukla and J. Leszczynski, Pol. J. Chem. 79, 1873(2005).
-
(2005)
Pol. J. Chem.
, vol.79
, pp. 1873
-
-
Rubina, A.Y.1
Rubin, Y.V.2
Sorokin, V.A.3
Shukla, M.K.4
Leszczynski, J.5
-
76
-
-
84948768549
-
-
invited
-
Saha, S., F. Wang, C. Fonesca-Guerra and F. M. Bickelhaupt, J. Comput. Methods Sci. & Eng., (invited) 6, 251(2007a).
-
(2007)
J. Comput. Methods Sci. & Eng.
, vol.6
, pp. 251
-
-
Saha, S.1
Wang, F.2
Fonesca-Guerra, C.3
Bickelhaupt, F.M.4
-
77
-
-
26044466040
-
-
Saha, S., F. Wang, C. T. Falzon and M. J. Brunger, J. Chem. Phys., 123, 124315(2005).
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 124315
-
-
Saha, S.1
Wang, F.2
Falzon, C.T.3
Brunger, M.J.4
-
78
-
-
72749103496
-
-
Saha, S. F. Wang, J. B. MacNaughton, A. Moewws and P. D. Chong, (in preparation, 2007b)
-
Saha, S., F. Wang, J. B. MacNaughton, A. Moewws and P. D. Chong, (in preparation, 2007b).
-
-
-
-
81
-
-
0000211269
-
-
Schipper, P. R.T.; O. V. Gritsenko, S. J. A. Van Gisbergen, E. J. Baerends, J. Chem. Phys., 112, 1344(2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1344
-
-
Schipper, P.R.T.1
Gritsenko, O.V.2
Van Gisbergen, S.J.A.3
Baerends, E.J.4
-
84
-
-
0032484796
-
-
Stepanian, S. G., I. D. Reva, E. D, Radchenko, M. T. S. Rosado, M. L. T. S. Duarte, R. Fausto, L. Adamowicz, J. Phys. Chem. A 102, 1041 (1998).
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1041
-
-
Stepanian, S.G.1
Reva, I.D.2
Radchenko D, E.3
Rosado, M.T.S.4
Duarte, M.L.T.S.5
Fausto, R.6
Adamowicz, L.7
-
85
-
-
0036202338
-
-
Sobolewski, A.L.; W. Domcke, C. Dedonder-Lardeux and C. Jouvet, Phys. Chem. Chem. Phys. 4, 1093 (2002).
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 1093
-
-
Sobolewski, A.L.1
Domcke, W.2
Dedonder-Lardeux, C.3
Jouvet, C.4
-
87
-
-
67849096373
-
Toward three-dimensional electron momentum distributions
-
Eds. F. Wang and M. J. Brunger, Research Signpost, Kerala, India
-
Takahashi, M. and Y. Udagawa, "Toward three-dimensional electron momentum distributions" in "Nanoscale interactions and their applications: Essays in Honour of Ian McCarthy". Eds. F. Wang and M. J. Brunger, Research Signpost, Kerala, India, 2007, pp 157-168.
-
(2007)
Nanoscale Interactions and Their Applications: Essays in Honour of Ian McCarthy
, pp. 157-168
-
-
Takahashi, M.1
Udagawa, Y.2
-
88
-
-
72749111227
-
-
Thompson, A. Saha, S. F. Wang, T. Tsuchimochi, A. Nakata, Y. Iumamura and H. Nakai, (to be submitted, 2007)
-
Thompson, A., Saha, S.; F. Wang, T. Tsuchimochi, A. Nakata, Y. Iumamura and H. Nakai, (to be submitted, 2007).
-
-
-
-
89
-
-
0034795339
-
-
Torrance, C. J., V. Agrawal, B. Vogelstein, K. W. Kinzler, Nature (Biotechnology), 19, 940(2001).
-
(2001)
Nature (Biotechnology)
, vol.19
, pp. 940
-
-
Torrance, C.J.1
Agrawal, V.2
Vogelstein, B.3
Kinzler, K.W.4
-
90
-
-
33749614123
-
-
Vázquez, M. -V.; A. Martínez, O. Dolgounitcheva and J. V. Ortiz, J. Phys. Chem. A 110, 11174(2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 11174
-
-
Vázquez, M.-V.1
Martínez, A.2
Dolgounitcheva, O.3
Ortiz, J.V.4
-
91
-
-
0742284443
-
-
Vrkic, A.K.; T. Taverner, P.F. James and R.A.J. O'hair, Dalton Trans., 38, 197(2004).
-
(2004)
Dalton Trans.
, vol.38
, pp. 197
-
-
Vrkic, A.K.1
Taverner, T.2
James, P.F.3
O'hair, R.A.J.4
-
97
-
-
33644591732
-
-
Wang, F., W. N. Pang and M. Huang, J. Ele. Spectrosc. & Related Phonen., 151, 215(2006).
-
(2006)
J. Ele. Spectrosc. & Related Phonen.
, vol.151
, pp. 215
-
-
Wang, F.1
Pang, W.N.2
Huang, M.3
-
98
-
-
34548281444
-
Valence orbital momentum distributions of water: The performance of the HF, B3LYP, BP86 and VWN models combined with selected Gaussian and Slater basis sets
-
Eds. F. Wang and M. J. Brunger, Research Signpost, Kerala, India
-
Wang, F., P. Duffy and D. P. Chong, "Valence orbital momentum distributions of water: the performance of the HF, B3LYP, BP86 and VWN models combined with selected Gaussian and Slater basis sets", in "Nanoscale interactions and their applications: Essays in Honour of Ian McCarthy". Eds. F. Wang and M. J. Brunger, Research Signpost, Kerala, India, 2007, pp 168-182.
-
(2007)
Nanoscale Interactions and Their Applications: Essays in Honour of Ian McCarthy
, pp. 168-182
-
-
Wang, F.1
Duffy, P.2
Chong, D.P.3
-
101
-
-
72749085604
-
-
Wang, F. (in preparation, 2007b)
-
Wang, F. (in preparation, 2007b).
-
-
-
-
102
-
-
72749112111
-
-
Wang, F. C. T. Falzon and W. D. Lawrance, (in preparation, 2007)
-
Wang, F., C. T. Falzon and W. D. Lawrance, (in preparation, 2007).
-
-
-
-
107
-
-
34347331182
-
-
Yang, T. C, G.L. Su, CG. Ning, J.K. Deng, F. Wang, S. F. Zhang, X.G. Ren and Y.R. Huang, J. Phys. Chem. A, 111, 4927(2007).
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 4927
-
-
Yang, T.C.1
Su, G.L.2
Ning, C.G.3
Deng, J.K.4
Wang, F.5
Zhang, S.F.6
Ren, X.G.7
Huang, Y.R.8
|