-
2
-
-
17844394292
-
-
D. Schröder, H. Schwarz, D.E. Clemmer, Y. Chen, P.B. Armentrout, V.I. Baranov, and D.K. Böhme International Journal of Mass Spectrometry and Ion Physics 161 1997 175 191
-
(1997)
International Journal of Mass Spectrometry and Ion Physics
, vol.161
, pp. 175-191
-
-
Schröder, D.1
Schwarz, H.2
Clemmer, D.E.3
Chen, Y.4
Armentrout, P.B.5
Baranov, V.I.6
Böhme, D.K.7
-
8
-
-
1342344757
-
-
S. Chiodo, O. Kondakova, M. del Carmen Michelini, N. Russo, E. Sicilia, A. Irigoras, and J.M. Ugalde Journal of Physical Chemistry A 108 2004 1069 1081
-
(2004)
Journal of Physical Chemistry A
, vol.108
, pp. 1069-1081
-
-
Chiodo, S.1
Kondakova, O.2
Del Carmen Michelini, M.3
Russo, N.4
Sicilia, E.5
Irigoras, A.6
Ugalde, J.M.7
-
9
-
-
84987350931
-
-
S. Shaik, D. Danovich, A. Fiedler, D. Schröder, and H. Schwarz Helvetica Chemica Acta 78 1995 1393 1407
-
(1995)
Helvetica Chemica Acta
, vol.78
, pp. 1393-1407
-
-
Shaik, S.1
Danovich, D.2
Fiedler, A.3
Schröder, D.4
Schwarz, H.5
-
14
-
-
79952130294
-
-
Gaussian, Inc Wallingford, CT
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox Gaussian 09, Revision B.01 2010 Gaussian, Inc Wallingford, CT
-
(2010)
Gaussian 09, Revision B.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, Jr.J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Keith, T.38
Kobayashi, R.39
Normand, J.40
Raghavachari, K.41
Rendell, A.42
Burant, J.C.43
Iyengar, S.S.44
Tomasi, J.45
Cossi, M.46
Rega, N.47
Millam, J.M.48
Klene, M.49
Knox, J.E.50
Cross, J.B.51
Bakken, V.52
Adamo, C.53
Jaramillo, J.54
Gomperts, R.55
Stratmann, R.E.56
Yazyev, O.57
Austin, A.J.58
Cammi, R.59
Pomelli, C.60
Ochterski, J.W.61
Martin, R.L.62
Morokuma, K.63
Zakrzewski, V.G.64
Voth, G.A.65
Salvador, P.66
Dannenberg, J.J.67
Dapprich, S.68
Daniels, A.D.69
Farkas, O.70
Foresman, J.B.71
Ortiz, J.V.72
Cioslowski, J.73
Fox, D.J.74
more..
-
17
-
-
84878358898
-
-
a package of ab initio programs
-
H.-J. Werner, P.J. Knowles, G. Knizia, F.R. Manby, M. Schütz, P. Celani, T. Korona, R. Lindh, A. Mitrushenkov, G. Rauhut, K.R. Shamasundar, T.B. Adler, R.D. Amos, A. Bernhardsson, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, E. Goll, C. Hampel, A. Hesselmann, G. Hetzer, T. Hrenar, G. Jansen, C. Köppl, Y. Liu, A.W. Lloyd, R.A. Mata, A.J. May, S.J. McNicholas, W. Meyer, M.E. Mura, A. Nicklass, D.P. O'Neill, P. Palmieri, D. Peng, K. Pflüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, MOLPRO, version 2012.1, a package of ab initio programs, < http://www.molpro.net >.
-
MOLPRO, Version 2012.1
-
-
Werner, H.-J.1
-
18
-
-
36449001370
-
-
Erratum: P.J. Knowles, C. Hampel, H.-J. Werner, Journal of Chemical Physics 112 (2000) 3106-3107
-
P.J. Knowles, C. Hampel, and H.-J. Werner Journal of Chemical Physics 99 1993 5219 5227 Erratum: P.J. Knowles, C. Hampel, H.-J. Werner, Journal of Chemical Physics 112 (2000) 3106-3107
-
(1993)
Journal of Chemical Physics
, vol.99
, pp. 5219-5227
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
21
-
-
84884190525
-
-
For further information
-
TURBOMOLE development version, 2013, For further information see < http://www.turbomole.com >.
-
(2013)
TURBOMOLE Development Version
-
-
-
22
-
-
79958810374
-
-
R.A. Bachorz, F.A. Bischoff, A. Gloss, C. Hättig, S. Höfener, W. Klopper, and D.P. Tew Journal of Computational Chemistry 32 2011 2492 2513
-
(2011)
Journal of Computational Chemistry
, vol.32
, pp. 2492-2513
-
-
Bachorz, R.A.1
Bischoff, F.A.2
Gloss, A.3
Hättig, C.4
Höfener, S.5
Klopper, W.6
Tew, D.P.7
-
27
-
-
52349087892
-
-
NIST Atomic Spectra Database (ver. 5.0). National Institute of Standards and Technology, Gaithersburg, MD, (accessed 10.06.13)
-
A. Kramida, Y. Ralchenko, J. Reader, NIST ASD Team. NIST Atomic Spectra Database (ver. 5.0). National Institute of Standards and Technology, Gaithersburg, MD, < http://physics.nist.gov/asd > (accessed 10.06.13).
-
NIST ASD Team
-
-
Kramida, A.1
Ralchenko, Y.2
Reader, J.3
-
28
-
-
33745459479
-
-
B. Ruscic, R.E. Pinzon, M.L. Morton, N.K. Srinivasan, M.-C. Su, J.W. Sutherland, and J.V. Michael Journal of Physical Chemistry A 110 2006 6592 6601
-
(2006)
Journal of Physical Chemistry A
, vol.110
, pp. 6592-6601
-
-
Ruscic, B.1
Pinzon, R.E.2
Morton, M.L.3
Srinivasan, N.K.4
Su, M.-C.5
Sutherland, J.W.6
Michael, J.V.7
-
33
-
-
0001126914
-
-
N.C. Handy, J.A. Pople, M. Head-Gordon, K. Raghavachari, and G.W. Trucks Chemical Physics Letters 164 1989 185 192
-
(1989)
Chemical Physics Letters
, vol.164
, pp. 185-192
-
-
Handy, N.C.1
Pople, J.A.2
Head-Gordon, M.3
Raghavachari, K.4
Trucks, G.W.5
-
34
-
-
84888296957
-
-
D.P. Tew, unpublished work
-
D.P. Tew, unpublished work.
-
-
-
-
39
-
-
78650649511
-
-
See e.g.
-
See e.g. A.D. Gingell, M.T. Bell, J.M. Oldham, T.P. Softley, and J.N. Harvey Journal of Chemical Physics 133 2010 194302
-
(2010)
Journal of Chemical Physics
, vol.133
, pp. 194302
-
-
Gingell, A.D.1
Bell, M.T.2
Oldham, J.M.3
Softley, T.P.4
Harvey, J.N.5
|