-
1
-
-
22944478333
-
-
Canuel C, Mons M, Piuzzi F, Tardivel B, Dimicoli I, Elhanine M (2005) J Chem Phys 122: 074316.
-
(2005)
J Chem Phys
, vol.122
-
-
Canuel, C.1
Mons, M.2
Piuzzi, F.3
Tardivel, B.4
Dimicoli, I.5
Elhanine, M.6
-
4
-
-
20344381582
-
-
Blancafort L, Cohen B, Hare PM, Kohler B, Robb MA (2005) J Phys Chem A 109: 4431.
-
(2005)
J Phys Chem A
, vol.109
, pp. 4431
-
-
Blancafort, L.1
Cohen, B.2
Hare, P.M.3
Kohler, B.4
Robb, M.A.5
-
12
-
-
0000708809
-
-
Klein S, Bearpark MJ, Smith BR, Robb MA, Olivucci M, Bernardi F (1998) Chem Phys Lett 292: 259.
-
(1998)
Chem Phys Lett
, vol.292
, pp. 259
-
-
Klein, S.1
Bearpark, M.J.2
Smith, B.R.3
Robb, M.A.4
Olivucci, M.5
Bernardi, F.6
-
28
-
-
49149090180
-
-
Roos BO, Andersson K, Fülscher MP, Malmqvist PA, Serrano-Andrés L, Pierloot K, Merchán M (1996) Adv Chem Phys 93: 219.
-
(1996)
Adv Chem Phys
, vol.93
, pp. 219
-
-
Roos, B.O.1
Andersson, K.2
Fülscher, M.P.3
Malmqvist, P.A.4
Serrano-Andrés, L.5
Pierloot, K.6
Merchán, M.7
-
30
-
-
77954443001
-
-
Shepard R, Lischka H, Szalay PG, Kovar T, Ernzerhof M (1992) J Chem Phys 96: 2085.
-
(1992)
J Chem Phys
, vol.96
, pp. 2085
-
-
Shepard, R.1
Lischka, H.2
Szalay, P.G.3
Kovar, T.4
Ernzerhof, M.5
-
33
-
-
2342640223
-
-
Dallos M, Lischka H, Shepard R, Yarkony DR, Szalay PG (2004) J Chem Phys 120: 7330.
-
(2004)
J Chem Phys
, vol.120
, pp. 7330
-
-
Dallos, M.1
Lischka, H.2
Shepard, R.3
Yarkony, D.R.4
Szalay, P.G.5
-
34
-
-
2342537103
-
-
Lischka H, Dallos M, Szalay PG, Yarkony DR, Shepard R (2004) J Chem Phys 120: 7322.
-
(2004)
J Chem Phys
, vol.120
, pp. 7322
-
-
Lischka, H.1
Dallos, M.2
Szalay, P.G.3
Yarkony, D.R.4
Shepard, R.5
-
36
-
-
0003498752
-
-
Lischka H, Shepard R, Shavitt I, Pitzer RM, Dallos M, Mueller T, Szalay PG, Brown FB, Ahlrichs R, Boehm HJ, Chang A, Comeau DC, Gdanitz R, Dachsel H, Ehrhardt C, Ernzerhof M, Hoechtl P, Irle S, Kedziora G, Kovar T, Parasuk V, Pepper MJM, Scharf P, Schiffer H, Schindler M, Schueler M, Seth M, Stahlberg EA, Zhao J-G, Yabushita S, Zhang Z, Barbatti M, Matsika S, Schuurmann M, Yarkony DR, Brozell SR, Beck EV, Blaudeau J-P (2006) COLUMBUS: an ab initio electronic structure program, release 5.9.1: www.univie.ac.at/columbus.
-
(2006)
COLUMBUS: An Ab Initio Electronic Structure Program, Release
, pp. 5.9.1
-
-
Lischka, H.1
Shepard, R.2
Shavitt, I.3
Pitzer, R.M.4
Dallos, M.5
Mueller, T.6
Szalay, P.G.7
Brown, F.B.8
Ahlrichs, R.9
Boehm, H.J.10
Chang, A.11
Comeau, D.C.12
Gdanitz, R.13
Dachsel, H.14
Ehrhardt, C.15
Ernzerhof, M.16
Hoechtl, P.17
Irle, S.18
Kedziora, G.19
Kovar, T.20
Parasuk, V.21
Pepper, M.J.M.22
Scharf, P.23
Schiffer, H.24
Schindler, M.25
Schueler, M.26
Seth, M.27
Stahlberg, E.A.28
Zhao, J.-G.29
Yabushita, S.30
Zhang, Z.31
Barbatti, M.32
Matsika, S.33
Schuurmann, M.34
Yarkony, D.R.35
Brozell, S.R.36
Beck, E.V.37
Blaudeau, J.-P.38
more..
-
37
-
-
42649092827
-
-
version 0.13b: www.univie.ac.at/newtonx
-
Barbatti M, Granucci G, Lischka H, Ruckenbauer M, Persico M (2007) NEWTON-X: a package for Newtonian dynamics close to the crossing seam, version 0.13b: www.univie.ac.at/newtonx.
-
(2007)
NEWTON-X: A Package for Newtonian Dynamics close to the Crossing Seam
-
-
Barbatti, M.1
Granucci, G.2
Lischka, H.3
Ruckenbauer, M.4
Persico, M.5
-
38
-
-
34447622847
-
-
Barbatti M, Granucci G, Persico M, Ruckenbauer M, Vazdar M, Eckert-Maksic M, Lischka H (2007) J Photochem Photobio A 190: 228.
-
(2007)
J Photochem Photobio A
, vol.190
, pp. 228
-
-
Barbatti, M.1
Granucci, G.2
Persico, M.3
Ruckenbauer, M.4
Vazdar, M.5
Eckert-Maksic, M.6
Lischka, H.7
-
44
-
-
0035111450
-
-
Lischka H, Shepard R, Pitzer RM, Shavitt I, Dallos M, Muller T, Szalay PG, Seth M, Kedziora GS, Yabushita S, Zhang ZY (2001) PCCP 3: 664.
-
(2001)
PCCP
, vol.3
, pp. 664
-
-
Lischka, H.1
Shepard, R.2
Pitzer, R.M.3
Shavitt, I.4
Dallos, M.5
Muller, T.6
Szalay, P.G.7
Seth, M.8
Kedziora, G.S.9
Yabushita, S.10
Zhang, Z.Y.11
-
45
-
-
4243539377
-
-
Ahlrichs R, Bär M, Häser M, Horn H, Kölmel C (1989) Chem Phys Lett 162: 165.
-
(1989)
Chem Phys Lett
, vol.162
, pp. 165
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
46
-
-
84990669584
-
-
Stanton JF, Gauss J, Watts JD, Lauderdale WJ, Bartlett RJ (1992) Int J Quantum Chem S 26: 879.
-
(1992)
Int J Quantum Chem S
, vol.26
, pp. 879
-
-
Stanton, J.F.1
Gauss, J.2
Watts, J.D.3
Lauderdale, W.J.4
Bartlett, R.J.5
-
66
-
-
31044456827
-
-
Zechmann G, Barbatti M, Lischka H, Pittner J, Bonačić-Koutecký V (2006) Chem Phys Lett 418: 377.
-
(2006)
Chem Phys Lett
, vol.418
, pp. 377
-
-
Zechmann, G.1
Barbatti, M.2
Lischka, H.3
Pittner, J.4
Bonačić-Koutecký, V.5
-
68
-
-
33750528360
-
-
Barbatti M, Vazdar M, Aquino AJA, Eckert-Maksic M, Lischka H (2006) J Chem Phys 125: 164323.
-
(2006)
J Chem Phys
, vol.125
-
-
Barbatti, M.1
Vazdar, M.2
Aquino, A.J.A.3
Eckert-Maksic, M.4
Lischka, H.5
-
73
-
-
0035837997
-
-
Garavelli M, Page CS, Celani P, Olivucci M, Schmid WE, Trushin SA, Fuss W (2001) J Phys Chem A 105: 4458.
-
(2001)
J Phys Chem A
, vol.105
, pp. 4458
-
-
Garavelli, M.1
Page, C.S.2
Celani, P.3
Olivucci, M.4
Schmid, W.E.5
Trushin, S.A.6
Fuss, W.7
-
74
-
-
5644269229
-
-
Bearpark MJ, Bernardi F, Clifford S, Olivucci M, Robb MA, Vreven T (1997) J Phys Chem A 101: 3841.
-
(1997)
J Phys Chem A
, vol.101
, pp. 3841
-
-
Bearpark, M.J.1
Bernardi, F.2
Clifford, S.3
Olivucci, M.4
Robb, M.A.5
Vreven, T.6
-
77
-
-
0037134912
-
-
Ismail N, Blancafort L, Olivucci M, Kohler B, Robb MA (2002) J Am Chem Soc 124: 6818.
-
(2002)
J am Chem Soc
, vol.124
, pp. 6818
-
-
Ismail, N.1
Blancafort, L.2
Olivucci, M.3
Kohler, B.4
Robb, M.A.5
-
78
-
-
33749035002
-
-
Frey JA, Leist R, Tanner C, Frey HM, Leutwyler S (2006) J Chem Phys 125: 114308.
-
(2006)
J Chem Phys
, vol.125
-
-
Frey, J.A.1
Leist, R.2
Tanner, C.3
Frey, H.M.4
Leutwyler, S.5
-
80
-
-
0037146062
-
-
Garavelli M, Bernardi F, Cembran A, Castano O, Frutos LM, Merchan M, Olivucci M (2002) J Am Chem Soc 124: 13770.
-
(2002)
J am Chem Soc
, vol.124
-
-
Garavelli, M.1
Bernardi, F.2
Cembran, A.3
Castano, O.4
Frutos, L.M.5
Merchan, M.6
Olivucci, M.7
-
85
-
-
5644242050
-
-
Wei J, Riedel J, Kuczmann A, Renth F, Temps F (2004) Faraday Discuss 127: 267.
-
(2004)
Faraday Discuss
, vol.127
, pp. 267
-
-
Wei, J.1
Riedel, J.2
Kuczmann, A.3
Renth, F.4
Temps, F.5
-
91
-
-
37849011427
-
-
Salzmann S, Kleinschmidt M, Tatchen J, Weinkauf R, Marian CM (2008) Phys Chem Chem Phys 10: 380.
-
(2008)
Phys Chem Chem Phys
, vol.10
, pp. 380
-
-
Salzmann, S.1
Kleinschmidt, M.2
Tatchen, J.3
Weinkauf, R.4
Marian, C.M.5
-
92
-
-
26944454828
-
-
Migani A, Gentili PL, Negri F, Olivucci M, Romani A, Favaro G, Becker RS (2005) J Phys Chem A 109: 8684.
-
(2005)
J Phys Chem A
, vol.109
, pp. 8684
-
-
Migani, A.1
Gentili, P.L.2
Negri, F.3
Olivucci, M.4
Romani, A.5
Favaro, G.6
Becker, R.S.7
-
93
-
-
33645865492
-
-
Fuss W, Hofer T, Hering P, Kompa KL, Lochbrunner S, Schikarski T, Schmid WE (1996) J Phys Chem 100: 921.
-
(1996)
J Phys Chem
, vol.100
, pp. 921
-
-
Fuss, W.1
Hofer, T.2
Hering, P.3
Kompa, K.L.4
Lochbrunner, S.5
Schikarski, T.6
Schmid, W.E.7
-
94
-
-
42049090202
-
-
Barbatti M, Ruckenbauer M, Szymczak JJ, Aquino AJA, Lischka H (2008) Phys Chem Chem Phys 10: 482.
-
(2008)
Phys Chem Chem Phys
, vol.10
, pp. 482
-
-
Barbatti, M.1
Ruckenbauer, M.2
Szymczak, J.J.3
Aquino, A.J.A.4
Lischka, H.5
-
102
-
-
33845950895
-
-
Mercier SR, Boyarkin OV, Kamariotis A, Guglielmi M, Tavernelli I, Cascella M, Rothlisberger U, Rizzo TR (2006) J Am Chem Soc 128: 16938.
-
(2006)
J am Chem Soc
, vol.128
, pp. 16938
-
-
Mercier, S.R.1
Boyarkin, O.V.2
Kamariotis, A.3
Guglielmi, M.4
Tavernelli, I.5
Cascella, M.6
Rothlisberger, U.7
Rizzo, T.R.8
|