-
1
-
-
0040819259
-
-
10.1016/0301-0104(81)80107-3
-
G. Bieri, W. V. Niessen, L. Åsbrink, and A. Svensson, Chem. Phys. 60 (1), 61 (1981). 10.1016/0301-0104(81)80107-3
-
(1981)
Chem. Phys
, vol.60
, Issue.1
, pp. 61
-
-
Bieri, G.1
Niessen, W.V.2
Åsbrink, L.3
Svensson, A.4
-
2
-
-
0000730648
-
-
10.1021/ja00760a007
-
C. R. Brundle, M. B. Robin, N. A. Kuebler, and B. Harold, J. Am. Chem. Soc. 94 (5), 1451 (1972). 10.1021/ja00760a007
-
(1972)
J. Am. Chem. Soc
, vol.94
, Issue.5
, pp. 1451
-
-
Brundle, C.R.1
Robin, M.B.2
Kuebler, N.A.3
Harold, B.4
-
4
-
-
0033423211
-
-
10.1007/s002140050451
-
K. Takeshita, Theor. Chem. Acc. 101, 343 (1999); 10.1007/s002140050451
-
(1999)
Theor. Chem. Acc
, vol.101
, pp. 343
-
-
Takeshita, K.1
-
5
-
-
0033274152
-
-
10.1016/S0301-0104(99)00322-5
-
K. Takeshita, Chem. Phys. 250 (2), 113 (1999). 10.1016/S0301-0104(99) 00322-5
-
(1999)
Chem. Phys
, vol.250
, Issue.2
, pp. 113
-
-
Takeshita, K.1
-
6
-
-
79551518249
-
-
10.1088/0953-4075/43/1/015102
-
R. Locht, B. Leyh, D. Dehareng, K. Hottmann, and H. Baumgärtel, J. Phys. B 43 (1), 015102 (2010). 10.1088/0953-4075/43/1/015102
-
(2010)
J. Phys. B
, vol.43
, Issue.1
, pp. 015102
-
-
Locht, R.1
Leyh, B.2
Dehareng, D.3
Hottmann, K.4
Baumgärtel, H.5
-
7
-
-
84861366880
-
-
10.1088/0953-4075/45/11/115101
-
R. Locht, D. Dehareng, and B. Leyh, J. Phys. B 45 (11), 115101 (2012). 10.1088/0953-4075/45/11/115101
-
(2012)
J. Phys. B
, vol.45
, Issue.11
, pp. 115101
-
-
Locht, R.1
Dehareng, D.2
Leyh, B.3
-
8
-
-
0001253117
-
-
10.1021/jp971902y
-
G. K. Jarvis, K. J. Boyle, C. A. Mayhew, and R. P. Tuckett, J. Phys. Chem. A 102 (19), 3230 (1998). 10.1021/jp971902y
-
(1998)
J. Phys. Chem. A
, vol.102
, Issue.19
, pp. 3230
-
-
Jarvis, G.K.1
Boyle, K.J.2
Mayhew, C.A.3
Tuckett, R.P.4
-
9
-
-
0346500438
-
-
10.1016/j.chemphys.2003.10.031
-
S. Eden, P. Limão-Vieira, P. A. Kendall, N. J. Mason, J. Delwiche, M.-J. Hubin-Franskin, T. Tanaka, M. Kitajima, H. Tanaka, H. Cho, and S. V. Hoffmann, Chem. Phys. 297 (1-3), 257 (2004). 10.1016/j.chemphys.2003.10.031
-
(2004)
Chem. Phys
, vol.297
, Issue.13
, pp. 257
-
-
Eden, S.1
Limão-Vieira, P.2
Kendall, P.A.3
Mason, N.J.4
Delwiche, J.5
Hubin-Franskin, M.-J.6
Tanaka, T.7
Kitajima, M.8
Tanaka, H.9
Cho, H.10
Hoffmann, S.V.11
-
10
-
-
84857547312
-
-
10.1039/c2cp23878k
-
J. Harvey, A. Bodi, R. P. Tuckett, and B. Sztáray, Phys. Chem. Chem. Phys. 14, 3935 (2012). 10.1039/c2cp23878k
-
(2012)
Phys. Chem. Chem. Phys
, vol.14
, pp. 3935
-
-
Harvey, J.1
Bodi, A.2
Tuckett, R.P.3
Sztáray, B.4
-
11
-
-
49249142887
-
-
10.1016/0020-7381(79)80116-3
-
J. Dannacher, A. Schmelzer, J.-P. Stadelmann, and J. Vogt, Int. J. Mass Spectrom. Ion Phys. 31, 175 (1979). 10.1016/0020-7381(79)80116-3
-
(1979)
Int. J. Mass Spectrom. Ion Phys
, vol.31
, pp. 175
-
-
Dannacher, J.1
Schmelzer, A.2
Stadelmann, J.-P.3
Vogt, J.4
-
12
-
-
0042723822
-
-
10.1021/jp9917897
-
F. Güthe, R. Locht, B. Leyh, H. Baumgärtel, and K.-M. Weitzel, J. Phys. Chem. A 103 (42), 8404 (1999). 10.1021/jp9917897
-
(1999)
J. Phys. Chem. A
, vol.103
, Issue.42
, pp. 8404
-
-
Güthe, F.1
Locht, R.2
Leyh, B.3
Baumgärtel, H.4
Weitzel, K.-M.5
-
13
-
-
0000398017
-
-
10.1016/0009-2614(93)85178-Q
-
J. Momigny and R. Locht, Chem. Phys. Lett. 211 (2), 161 (1993). 10.1016/0009-2614(93)85178-Q
-
(1993)
Chem. Phys. Lett
, vol.211
, Issue.2
, pp. 161
-
-
Momigny, J.1
Locht, R.2
-
14
-
-
0006700459
-
-
10.1021/j100176a018
-
M. Roorda, A. J. Lorquet, and J. C. Lorquet, J. Phys. Chem. 95 (23), 9118 (1991). 10.1021/j100176a018
-
(1991)
J. Phys. Chem
, vol.95
, Issue.23
, pp. 9118
-
-
Roorda, M.1
Lorquet, A.J.2
Lorquet, J.C.3
-
15
-
-
84874658481
-
-
10.1002/jcc.23194
-
J.-L. Chang, C.-H. Huang, S.-C. Chen, T.-H. Yin, and Y.-T. Chen, J. Comput. Chem. 34 (9), 757-765 (2013). 10.1002/jcc.23194
-
(2013)
J. Comput. Chem
, vol.34
, Issue.9
, pp. 757-765
-
-
Chang, J.-L.1
Huang, C.-H.2
Chen, S.-C.3
Yin, T.-H.4
Chen, Y.-T.5
-
16
-
-
77958514237
-
-
10.1021/jp104019d
-
P. Hemberger, B. Noller, M. Steinbauer, I. Fischer, C. Alcaraz, B. R. K. Cunha de Miranda, G. A. Garcia, and H. Soldi-Lose, J. Phys. Chem. A 114 (42), 11269 (2010). 10.1021/jp104019d
-
(2010)
J. Phys. Chem. A
, vol.114
, Issue.42
, pp. 11269
-
-
Hemberger, P.1
Noller, B.2
Steinbauer, M.3
Fischer, I.4
Alcaraz, C.5
Cunha De Miranda, B.R.K.6
Garcia, G.A.7
Soldi-Lose, H.8
-
17
-
-
67649667186
-
-
10.1021/jp903476w
-
L. Koziol, V. A. Mozhayskiy, B. J. Braams, J. M. Bowman, and A. I. Krylov, J. Phys. Chem. A 113 (27), 7802 (2009). 10.1021/jp903476w
-
(2009)
J. Phys. Chem. A
, vol.113
, Issue.27
, pp. 7802
-
-
Koziol, L.1
Mozhayskiy, V.A.2
Braams, B.J.3
Bowman, J.M.4
Krylov, A.I.5
-
18
-
-
1242264759
-
-
10.1063/1.1635815
-
S. Willitsch, U. Hollenstein, and F. Merkt, J. Chem. Phys. 120 (4), 1761 (2004). 10.1063/1.1635815
-
(2004)
J. Chem. Phys
, vol.120
, Issue.4
, pp. 1761
-
-
Willitsch, S.1
Hollenstein, U.2
Merkt, F.3
-
19
-
-
36749115023
-
-
10.1063/1.444055
-
H. Köppel, L. S. Cederbaum, and W. Domcke, J. Chem. Phys. 77 (4), 2014 (1982); 10.1063/1.444055
-
(1982)
J. Chem. Phys
, vol.77
, Issue.4
, pp. 2014
-
-
Köppel, H.1
Cederbaum, L.S.2
Domcke, W.3
-
20
-
-
0001162568
-
-
10.1063/1.441361
-
C. Sannen, G. Raşeev, C. Galloy, G. Fauville, and J. C. Lorquet, J. Chem. Phys. 74 (4), 2402 (1981). 10.1063/1.441361
-
(1981)
J. Chem. Phys
, vol.74
, Issue.4
, pp. 2402
-
-
Sannen, C.1
Raşeev, G.2
Galloy, C.3
Fauville, G.4
Lorquet, J.C.5
-
21
-
-
71749094387
-
-
10.1016/j.nima.2009.08.069
-
M. Johnson, A. Bodi, L. Schulz, and T. Gerber, Nucl. Instrum. Methods Phys. Res. A 610, 597 (2009). 10.1016/j.nima.2009.08.069
-
(2009)
Nucl. Instrum. Methods Phys. Res. A
, vol.610
, pp. 597
-
-
Johnson, M.1
Bodi, A.2
Schulz, L.3
Gerber, T.4
-
22
-
-
63649103107
-
-
10.1063/1.3082016
-
A. Bodi, M. Johnson, T. Gerber, Z. Gengeliczki, B. Sztáray, and T. Baer, Rev. Sci. Instrum. 80, 034101 (2009). 10.1063/1.3082016
-
(2009)
Rev. Sci. Instrum
, vol.80
, pp. 034101
-
-
Bodi, A.1
Johnson, M.2
Gerber, T.3
Gengeliczki, Z.4
Sztáray, B.5
Baer, T.6
-
24
-
-
70450285203
-
-
10.1039/b915400k
-
A. Bodi, N. S. Shuman, and T. Baer, Phys. Chem. Chem. Phys. 11 (46), 11013 (2009). 10.1039/b915400k
-
(2009)
Phys. Chem. Chem. Phys
, vol.11
, Issue.46
, pp. 11013
-
-
Bodi, A.1
Shuman, N.S.2
Baer, T.3
-
25
-
-
36449001191
-
-
10.1063/1.465011
-
W. A. Chupka, J. Chem. Phys. 98 (6), 4520 (1993). 10.1063/1.465011
-
(1993)
J. Chem. Phys
, vol.98
, Issue.6
, pp. 4520
-
-
Chupka, W.A.1
-
26
-
-
84875770657
-
-
GAUSSIAN 09, Revision A.1, Gaussian, Inc., Wallingford, CT
-
M. J. T. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 09, Revision A.1, Gaussian, Inc., Wallingford, CT, 2009
-
(2009)
-
-
Frisch, M.J.T.1
Trucks, G.W.2
Schlegel, H.B.3
-
27
-
-
0038787829
-
-
10.1039/b301228j
-
D. Spangenberg, P. Imhof, and K. Kleinermanns, Phys. Chem. Chem. Phys. 5 (12), 2505 (2003). 10.1039/b301228j
-
(2003)
Phys. Chem. Chem. Phys
, vol.5
, Issue.12
, pp. 2505
-
-
Spangenberg, D.1
Imhof, P.2
Kleinermanns, K.3
-
28
-
-
84875794145
-
-
See supplementary material at E-JCPSA6-138-028312 for Tables S1-S10 and Figure S1
-
See supplementary material at http://dx.doi.org/10.1063/1.4795428 E-JCPSA6-138-028312 for Tables S1-S10 and Figure S1
-
-
-
-
29
-
-
0000543185
-
-
10.1063/1.478676
-
A. G. Baboul, L. A. Curtiss, P. C. Redfern, and K. J. Raghavachari, J. Chem. Phys. 110 (16), 7650 (1999). 10.1063/1.478676
-
(1999)
J. Chem. Phys
, vol.110
, Issue.16
, pp. 7650
-
-
Baboul, A.G.1
Curtiss, L.A.2
Redfern, P.C.3
Raghavachari, K.J.4
-
30
-
-
33746563448
-
-
10.1039/b517914a
-
Y. Shao, L. F. Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S. T. Brown, A. T. B. Gilbert, L. V. Slipchenko, S. V. Levchenko, D. P. O'Neill, R. A. DiStasio Jr., R. C. Lochan, T. Wang, G. J. O. Beran, N. A. Besley, J. M. Herbert, C. Y. Lin, T. V. Voorhis, S. H. Chien, A. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson, B. Austin, J. Baker, E. F. C. Byrd, H. Dachsel, R. J. Doerksen, A. Dreuw, B. D. Dunietz, A. D. Dutoi, T. R. Furlani, S. R. Gwaltney, A. Heyden, S. Hirata, C.-P. Hsu, G. Kedziora, R. Z. Khalliulin, P. Klunzinger, A. M. Lee, M. S. Lee, W. Liang, I. Lotan, N. Nair, B. Peters, E. I. Proynov, P. A. Pieniazek, Y. M. Rhee, J. Ritchie, E. Rosta, C. D. Sherrill, A. C. Simmonett, J. E. Subotnik, H. L. Woodcock III, W. Zhang, A. T. Bell, A. K. Chakraborty, D. M. Chipman, F. J. Keil, A. Warshel, W. J. Hehre, H. F. Schaefer III, J. Kong, A. I. Krylov, P. M. W. Gill, and M. Head-Gordon, Phys. Chem. Chem. Phys. 8 (27), 3172 (2006). 10.1039/b517914a
-
(2006)
Phys. Chem. Chem. Phys
, vol.8
, Issue.27
, pp. 3172
-
-
Shao, Y.1
Molnar, L.F.2
Jung, Y.3
Kussmann, J.4
Ochsenfeld, C.5
Brown, S.T.6
Gilbert, A.T.B.7
Slipchenko, L.V.8
Levchenko, S.V.9
O'Neill, D.P.10
Distasio Jr., R.A.11
Lochan, R.C.12
Wang, T.13
Beran, G.J.O.14
Besley, N.A.15
Herbert, J.M.16
Lin, C.Y.17
Voorhis, T.V.18
Chien, S.H.19
Sodt, A.20
Steele, R.P.21
Rassolov, V.A.22
Maslen, P.E.23
Korambath, P.P.24
Adamson, R.D.25
Austin, B.26
Baker, J.27
Byrd, E.F.C.28
Dachsel, H.29
Doerksen, R.J.30
Dreuw, A.31
Dunietz, B.D.32
Dutoi, A.D.33
Furlani, T.R.34
Gwaltney, S.R.35
Heyden, A.36
Hirata, S.37
Hsu, C.-P.38
Kedziora, G.39
Khalliulin, R.Z.40
Klunzinger, P.41
Lee, A.M.42
Lee, M.S.43
Liang, W.44
Lotan, I.45
Nair, N.46
Peters, B.47
Proynov, E.I.48
Pieniazek, P.A.49
Rhee, Y.M.50
Ritchie, J.51
Rosta, E.52
Sherrill, C.D.53
Simmonett, A.C.54
Subotnik, J.E.55
Woodcock III, H.L.56
Zhang, W.57
Bell, A.T.58
Chakraborty, A.K.59
Chipman, D.M.60
Keil, F.J.61
Warshel, A.62
Hehre, W.J.63
Schaefer III, H.F.64
Kong, J.65
Krylov, A.I.66
Gill, P.M.W.67
Head-Gordon, M.68
more..
-
31
-
-
12144268141
-
-
10.1103/PhysRev.34.57
-
P. M. Morse, Phys. Rev. 34 (1), 57 (1929). 10.1103/PhysRev.34.57
-
(1929)
Phys. Rev
, vol.34
, Issue.1
, pp. 57
-
-
Morse, P.M.1
-
33
-
-
84985545854
-
-
10.1002/anie.198302101
-
H. Köppel, L. S. Cederbaurn, W. Domcke, and S. S. Shaik, Angew. Chem., Int. Ed. Engl. 22 (3), 210 (1983). 10.1002/anie.198302101
-
(1983)
Angew. Chem., Int. Ed. Engl
, vol.22
, Issue.3
, pp. 210
-
-
Köppel, H.1
Cederbaurn, L.S.2
Domcke, W.3
Shaik, S.S.4
-
35
-
-
36849128734
-
-
10.1063/1.1740655
-
R. S. Mulliken, J. Chem. Phys. 23 (11), 1997 (1955). 10.1063/1.1740655
-
(1955)
J. Chem. Phys
, vol.23
, Issue.11
, pp. 1997
-
-
Mulliken, R.S.1
-
36
-
-
50249212855
-
-
10.1016/S0031-8914(34)90011-2
-
T. Koopmans, Physica 1, 104 (1934). 10.1016/S0031-8914(34)90011-2
-
(1934)
Physica
, vol.1
, pp. 104
-
-
Koopmans, T.1
-
37
-
-
80053538558
-
-
10.1039/c1cp21926j
-
T. Baer, A. Guerrero, J. Z. Davalos, and A. Bodi, Phys. Chem. Chem. Phys. 13 (39), 17791 (2011). 10.1039/c1cp21926j
-
(2011)
Phys. Chem. Chem. Phys
, vol.13
, Issue.39
, pp. 17791
-
-
Baer, T.1
Guerrero, A.2
Davalos, J.Z.3
Bodi, A.4
-
38
-
-
84867092908
-
-
10.1021/jp307941k
-
J. Harvey, R. P. Tuckett, and A. Bodi, J. Phys. Chem. A 116 (39), 9696 (2012). 10.1021/jp307941k
-
(2012)
J. Phys. Chem. A
, vol.116
, Issue.39
, pp. 9696
-
-
Harvey, J.1
Tuckett, R.P.2
Bodi, A.3
-
39
-
-
84869479694
-
-
10.1039/c2cp43255b
-
A. Bodi, M. D. Brannock, B. Sztáray, and T. Baer, Phys. Chem. Chem. Phys. 14 (46), 16047 (2012). 10.1039/c2cp43255b
-
(2012)
Phys. Chem. Chem. Phys
, vol.14
, Issue.46
, pp. 16047
-
-
Bodi, A.1
Brannock, M.D.2
Sztáray, B.3
Baer, T.4
-
41
-
-
0000518361
-
-
10.1039/f29767200426
-
I. G. Simm, C. J. Danby, J. H. D. Eland, and P. I. Mansell, J. Chem. Soc., Faraday Trans. 2 72, 426 (1976). 10.1039/f29767200426
-
(1976)
J. Chem. Soc., Faraday Trans. 2
, vol.72
, pp. 426
-
-
Simm, I.G.1
Danby, C.J.2
Eland, J.H.D.3
Mansell, P.I.4
-
42
-
-
0000788434
-
-
10.1016/0009-2614(93)90133-L
-
D. M. Smith, R. P. Tuckett, K. R. Yoxall, K. Codling, and P. A. Hatherly, Chem. Phys. Lett. 216 (3), 493 (1993). 10.1016/0009-2614(93)90133-L
-
(1993)
Chem. Phys. Lett
, vol.216
, Issue.3
, pp. 493
-
-
Smith, D.M.1
Tuckett, R.P.2
Yoxall, K.R.3
Codling, K.4
Hatherly, P.A.5
-
43
-
-
79960149747
-
-
10.1039/c1cp21015g
-
S. Borkar, B. Sztáray, and A. Bodi, Phys. Chem. Chem. Phys. 13 (28), 13009 (2011). 10.1039/c1cp21015g
-
(2011)
Phys. Chem. Chem. Phys
, vol.13
, Issue.28
, pp. 13009
-
-
Borkar, S.1
Sztáray, B.2
Bodi, A.3
-
44
-
-
25844489485
-
-
10.1021/jp051542b
-
E. Gridelet, D. Dehareng, R. Locht, A. J. Lorquet, J. C. Lorquet, and B. Leyh, J. Phys. Chem. A 109 (37), 8225 (2005). 10.1021/jp051542b
-
(2005)
J. Phys. Chem. A
, vol.109
, Issue.37
, pp. 8225
-
-
Gridelet, E.1
Dehareng, D.2
Locht, R.3
Lorquet, A.J.4
Lorquet, J.C.5
Leyh, B.6
-
45
-
-
0038269037
-
-
10.1063/1.470985
-
J. W. Ochterski, G. A. Petersson, and J. A. Montgomery, J. Chem. Phys. 104 (7), 2598 (1996). 10.1063/1.470985
-
(1996)
J. Chem. Phys
, vol.104
, Issue.7
, pp. 2598
-
-
Ochterski, J.W.1
Petersson, G.A.2
Montgomery, J.A.3
-
46
-
-
17144368769
-
-
10.1039/b502051d
-
T. Baer, B. Sztáray, J. P. Kercher, A. F. Lago, A. Bodi, C. Skull, and D. Palathinkal, Phys. Chem. Chem. Phys. 7, 1507 (2005). 10.1039/b502051d
-
(2005)
Phys. Chem. Chem. Phys
, vol.7
, pp. 1507
-
-
Baer, T.1
Sztáray, B.2
Kercher, J.P.3
Lago, A.F.4
Bodi, A.5
Skull, C.6
Palathinkal, D.7
|