-
5
-
-
54849425398
-
-
U. Buck in H. Haberland, Clusters of Atoms and Molecules, Vol. 52 of Springer Series in Chemical Physics, Springer-Verlag, 1994.
-
U. Buck in H. Haberland, Clusters of Atoms and Molecules, Vol. 52 of Springer Series in Chemical Physics, Springer-Verlag, 1994.
-
-
-
-
7
-
-
0842305280
-
-
Futami Y., Kudoh S., Ito F., Nakanaga T., and Nakata M. J. Mol. Struct. 690 (2004) 9-16
-
(2004)
J. Mol. Struct.
, vol.690
, pp. 9-16
-
-
Futami, Y.1
Kudoh, S.2
Ito, F.3
Nakanaga, T.4
Nakata, M.5
-
12
-
-
33846435167
-
-
Rosso A., Rander T., Bergersen H., Lindblad A., Lundwall M., Svensson S., Tchaplyguine M., Öhrwall G., Sæthre L.J., and Björneholm O. Chem. Phys. Lett. 435 (2007) 79-83
-
(2007)
Chem. Phys. Lett.
, vol.435
, pp. 79-83
-
-
Rosso, A.1
Rander, T.2
Bergersen, H.3
Lindblad, A.4
Lundwall, M.5
Svensson, S.6
Tchaplyguine, M.7
Öhrwall, G.8
Sæthre, L.J.9
Björneholm, O.10
-
13
-
-
34547207610
-
-
Rosso A., Lindblad A., Lundwall M., Rander T., Svensson S., Tchaplyguine M., Öhrwall G., and Björneholm O. J. Chem. Phys. 127 (2007) 024302
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 024302
-
-
Rosso, A.1
Lindblad, A.2
Lundwall, M.3
Rander, T.4
Svensson, S.5
Tchaplyguine, M.6
Öhrwall, G.7
Björneholm, O.8
-
18
-
-
0001181746
-
-
Björneholm O., Federmann F., Fössing F., Möller T., and Stampfli P. J. Chem. Phys. 104 (1996) 1846-1854
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 1846-1854
-
-
Björneholm, O.1
Federmann, F.2
Fössing, F.3
Möller, T.4
Stampfli, P.5
-
19
-
-
33744482081
-
-
Bergersen H., Abu-samha M., Harnes J., Björneholm O., Svensson S., Sæthre L.J., and Børve K.J. Phys. Chem. Chem. Phys. 8 (2006) 1891-1898
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 1891-1898
-
-
Bergersen, H.1
Abu-samha, M.2
Harnes, J.3
Björneholm, O.4
Svensson, S.5
Sæthre, L.J.6
Børve, K.J.7
-
21
-
-
28444459562
-
-
Hatsui T., Setoyama H., Kosugi N., Wassermann B., Bradeanu I.L., and Rühl E. J. Chem. Phys. 123 (2005) 154304
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 154304
-
-
Hatsui, T.1
Setoyama, H.2
Kosugi, N.3
Wassermann, B.4
Bradeanu, I.L.5
Rühl, E.6
-
22
-
-
33748533514
-
-
Bergersen H., Abu-samha M., Lindblad A., Marinho R.R.T., Céolin D., Öhrwall G., Sæthre L., Tchaplyguine M., Børve K.J., Svensson S., and Björneholm O. Chem. Phys. Lett. 429 (2006) 109-113
-
(2006)
Chem. Phys. Lett.
, vol.429
, pp. 109-113
-
-
Bergersen, H.1
Abu-samha, M.2
Lindblad, A.3
Marinho, R.R.T.4
Céolin, D.5
Öhrwall, G.6
Sæthre, L.7
Tchaplyguine, M.8
Børve, K.J.9
Svensson, S.10
Björneholm, O.11
-
24
-
-
0037381913
-
-
Tchaplyguine M., Feifel R., Marinho R.R.T., Gisselbrecht M., Sorensen S.L., Naves de Brito A., Mårtensson N., Svensson S., and Björneholm O. Chem. Phys. 289 (2003) 3-13
-
(2003)
Chem. Phys.
, vol.289
, pp. 3-13
-
-
Tchaplyguine, M.1
Feifel, R.2
Marinho, R.R.T.3
Gisselbrecht, M.4
Sorensen, S.L.5
Naves de Brito, A.6
Mårtensson, N.7
Svensson, S.8
Björneholm, O.9
-
25
-
-
36449003241
-
-
Karnbach R., Joppien M., Stapelfeldt J., Wörmer J., and Möller T. Rev. Sci. Instrum. 64 (1993) 2838-2849
-
(1993)
Rev. Sci. Instrum.
, vol.64
, pp. 2838-2849
-
-
Karnbach, R.1
Joppien, M.2
Stapelfeldt, J.3
Wörmer, J.4
Möller, T.5
-
27
-
-
33751021656
-
-
Bergersen H., Abu-samha M., Lindblad A., Marinho R.R.T., Öhrwall G., Tchaplyguine M., Børve K.J., Björneholm O., and Svensson S. J. Chem. Phys. 125 (2006) 184303
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 184303
-
-
Bergersen, H.1
Abu-samha, M.2
Lindblad, A.3
Marinho, R.R.T.4
Öhrwall, G.5
Tchaplyguine, M.6
Børve, K.J.7
Björneholm, O.8
Svensson, S.9
-
33
-
-
0001636764
-
-
Sundin S., Saethre L.J., Sorensen S.L., Ausmees A., and Svensson S. J. Chem. Phys. 110 (1999) 5806-5813
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 5806-5813
-
-
Sundin, S.1
Saethre, L.J.2
Sorensen, S.L.3
Ausmees, A.4
Svensson, S.5
-
34
-
-
0037162268
-
-
Carroll T.X., Børve K.J., Sæthre L.J., Bozek J.D., Kukk E., Hahne J.A., and Thomas T.D. J. Chem. Phys. 116 (2002) 10221-10228
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 10221-10228
-
-
Carroll, T.X.1
Børve, K.J.2
Sæthre, L.J.3
Bozek, J.D.4
Kukk, E.5
Hahne, J.A.6
Thomas, T.D.7
-
35
-
-
0001609553
-
-
Aitken E.J., Bahl M.K., Bomben K.D., Gimzewski J.K., Nolan C.S., and Thomas T.D. J. Am. Chem. Soc. 102 (1980) 4873-4879
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 4873-4879
-
-
Aitken, E.J.1
Bahl, M.K.2
Bomben, K.D.3
Gimzewski, J.K.4
Nolan, C.S.5
Thomas, T.D.6
-
36
-
-
2942739122
-
-
Thomas T.D., Saethre L.J., Børve K.J., Bozek J.D., Huttula M., and Kukk E. J. Phys. Chem. A 108 (2004) 4983-4990
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 4983-4990
-
-
Thomas, T.D.1
Saethre, L.J.2
Børve, K.J.3
Bozek, J.D.4
Huttula, M.5
Kukk, E.6
-
37
-
-
0031268119
-
-
Johnson J., Cutler J.N., Bancroft G.M., Hu Y.F., and Tan K.H. J. Phys. B: Atom. Mol. Opt. Phys. 30 (1997) 4899-4917
-
(1997)
J. Phys. B: Atom. Mol. Opt. Phys.
, vol.30
, pp. 4899-4917
-
-
Johnson, J.1
Cutler, J.N.2
Bancroft, G.M.3
Hu, Y.F.4
Tan, K.H.5
-
38
-
-
54849424985
-
-
J.W. Ponder, TINKER: Software Tools for Molecular Design, 4.2, Saint Louis, MO, 2004.
-
J.W. Ponder, TINKER: Software Tools for Molecular Design, 4.2, Saint Louis, MO, 2004.
-
-
-
-
39
-
-
54849405172
-
-
All parameters distributed with J. Ponder's TINKER (http://www.dasher.wustl.edu/tinker/) are from the "MM3/2000 Parameter Set" as provided by N.L. Allinger, University of Georgia, August 2000.
-
All parameters distributed with J. Ponder's TINKER (http://www.dasher.wustl.edu/tinker/) are from the "MM3/2000 Parameter Set" as provided by N.L. Allinger, University of Georgia, August 2000.
-
-
-
-
40
-
-
54849418243
-
-
W.F. van Gunsteren, H.J.C. Berendsen, Groningen molecular simulation (gromos) library manual, University of Groningen, 1987.
-
W.F. van Gunsteren, H.J.C. Berendsen, Groningen molecular simulation (gromos) library manual, University of Groningen, 1987.
-
-
-
-
41
-
-
33744551447
-
-
Abu-samha M., Børve K.J., Sæthre L.J., Öhrwall G., Bergersen H., Rander T., Björneholm O., and Tchaplyguine M. Phys. Chem. Chem. Phys. 8 (2006) 2473-2482
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 2473-2482
-
-
Abu-samha, M.1
Børve, K.J.2
Sæthre, L.J.3
Öhrwall, G.4
Bergersen, H.5
Rander, T.6
Björneholm, O.7
Tchaplyguine, M.8
-
43
-
-
0042896754
-
-
J.W. Hovick, L.S. Bartell, J. Mol. Struct. 346 (1995) 231-238.
-
J.W. Hovick, L.S. Bartell, J. Mol. Struct. 346 (1995) 231-238.
-
-
-
-
44
-
-
2542469018
-
-
Tchaplyguine M., Lundwall M., Gisselbrecht M., Öhrwall G., Feifel R., Sorensen S.B., Svensson S., Mårtensson N., and Björneholm O. Phys. Rev. A 69 (2004) 031201
-
(2004)
Phys. Rev. A
, vol.69
, pp. 031201
-
-
Tchaplyguine, M.1
Lundwall, M.2
Gisselbrecht, M.3
Öhrwall, G.4
Feifel, R.5
Sorensen, S.B.6
Svensson, S.7
Mårtensson, N.8
Björneholm, O.9
-
54
-
-
54849436282
-
-
H. Zipse, Determining atomic charges using the Merz-Singh-Kollman (MK) scheme, http://www.chemie.uni-muenchen.de/oc/zipse/compchem/pop/mk.html(2005).
-
H. Zipse, Determining atomic charges using the Merz-Singh-Kollman (MK) scheme, http://www.chemie.uni-muenchen.de/oc/zipse/compchem/pop/mk.html(2005).
-
-
-
-
55
-
-
54849434885
-
-
A.J. Stone, Distributed multipole analysis of gaussian wavefunctions (gdma) version 2.2.02, http://www-stone.ch.cam.ac.uk/documentation/gdma/manual.pdf (2005).
-
A.J. Stone, Distributed multipole analysis of gaussian wavefunctions (gdma) version 2.2.02, http://www-stone.ch.cam.ac.uk/documentation/gdma/manual.pdf (2005).
-
-
-
|