-
2
-
-
84858383949
-
-
10.1039/c2cp23583h
-
I. Leon, E. Cocinero, J. Millan, S. Jaeqx, A. M. Rijs, A. Lesarri, F. Castano, and J. A. Fernandez, Phys. Chem. Chem. Phys. 14, 4398 (2012). 10.1039/c2cp23583h
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 4398
-
-
Leon, I.1
Cocinero, E.2
Millan, J.3
Jaeqx, S.4
Rijs, A.M.5
Lesarri, A.6
Castano, F.7
Fernandez, J.A.8
-
3
-
-
84862282466
-
-
10.1039/c2cp40656j
-
I. Leon, J. Millan, E. Cocinero, A. Lesarri, F. Castano, and J. A. Fernandez, Phys. Chem. Chem. Phys. 14, 8956 (2012). 10.1039/c2cp40656j
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 8956
-
-
Leon, I.1
Millan, J.2
Cocinero, E.3
Lesarri, A.4
Castano, F.5
Fernandez, J.A.6
-
5
-
-
0003871733
-
-
edited by B. W. Urban and M. Barann (Pabst Science, Lengerich).
-
Molecular and Basic Mechanisms of Anesthesia, edited by, B. W. Urban, and, M. Barann, (Pabst Science, Lengerich, 2002).
-
(2002)
Molecular and Basic Mechanisms of Anesthesia
-
-
-
7
-
-
0034624021
-
Binding of the general anesthetics propofol and halothane to human serum albumin: High resolution crystal structures
-
DOI 10.1074/jbc.M005460200
-
A. A. Bhattacharya, S. Curry, and N. P. Franks, J. Biol. Chem. 275, 38731 (2000). 10.1074/jbc.M005460200 (Pubitemid 32009208)
-
(2000)
Journal of Biological Chemistry
, vol.275
, Issue.49
, pp. 38731-38738
-
-
Bhattacharya, A.A.1
Curry, S.2
Franks, N.P.3
-
8
-
-
0028140369
-
Molecular and cellular mechanisms of general anaesthesia
-
DOI 10.1038/367607a0
-
N. P. Franks and W. R. Lieb, Nature (London) 367, 607 (1994). 10.1038/367607a0 (Pubitemid 24067700)
-
(1994)
Nature
, vol.367
, Issue.6464
, pp. 607-614
-
-
Franks, N.P.1
Lieb, W.R.2
-
9
-
-
77957105622
-
-
10.1021/ja104950w
-
A. Lesarri, S. T. Shipman, J. L. Neill, G. G. Brown, R. D. Suenram, L. Kang, W. Caminati, and B. H. Pate, J. Am. Chem. Soc. 132, 13417 (2010). 10.1021/ja104950w
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 13417
-
-
Lesarri, A.1
Shipman, S.T.2
Neill, J.L.3
Brown, G.G.4
Suenram, R.D.5
Kang, L.6
Caminati, W.7
Pate, B.H.8
-
10
-
-
84865488365
-
-
See supplementary material at http://dx.doi.org/10.1063/1.4743960 E-JCPSA6-137-044231 for all the calculated structures, predicted vibrational spectra, tables with the binding energies, and potential energy curves.
-
-
-
-
11
-
-
0034935166
-
Structure and energetics of phenol(H O) ,n ≤ 7: Quantum Monte carlo calculations and double resonance experiments
-
DOI 10.1039/b101779i
-
A. Luchow, D. Spangenberg, C. Janzen, A. Jansen, M. Gerhards, and K. Kleinermanns, Phys. Chem. Chem. Phys. 3, 2771 (2001). 10.1039/b101779i (Pubitemid 32686102)
-
(2001)
Physical Chemistry Chemical Physics
, vol.3
, Issue.14
, pp. 2771-2780
-
-
Luchow, A.1
Spangenberg, D.2
Janzen, C.3
Jansen, A.4
Gerhards, M.5
Kleinermanns, K.6
-
12
-
-
34547410919
-
Accurate theoretical determination of the structure of aromatic complexes is complicated: The phenol dimer and phenolMethanol cases
-
DOI 10.1021/jp071486+
-
M. Kolar and P. Hobza, J. Phys. Chem. A 111, 5851 (2007). 10.1021/jp071486+ (Pubitemid 47166790)
-
(2007)
Journal of Physical Chemistry A
, vol.111
, Issue.26
, pp. 5851-5854
-
-
Kolar, M.1
Hobza, P.2
-
13
-
-
0029731941
-
-
10.1063/1.470821
-
G. Berden, W. L. Meerts, M. Schmitt, and K. Kleinermanns, J. Chem. Phys. 104, 972 (1996). 10.1063/1.470821
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 972
-
-
Berden, G.1
Meerts, W.L.2
Schmitt, M.3
Kleinermanns, K.4
-
14
-
-
0035959630
-
-
10.1021/jp011043k
-
T. Ebata, M. Kayano, S. Sato, and N. Mikami, J. Phys. Chem. A 105, 8623 (2001). 10.1021/jp011043k
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 8623
-
-
Ebata, T.1
Kayano, M.2
Sato, S.3
Mikami, N.4
-
16
-
-
33749002586
-
-
10.1021/jp952168q
-
T. Ebata, N. Mizuochi, T. Watanabe, and N. Mikami, J. Phys. Chem. 100, 546 (1996). 10.1021/jp952168q
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 546
-
-
Ebata, T.1
Mizuochi, N.2
Watanabe, T.3
Mikami, N.4
-
17
-
-
0000838654
-
+ cation
-
DOI 10.1016/S0009-2614(01)00771-0, PII S0009261401007710
-
M. Gerhards, A. Jansen, C. Unterberg, and K. Kleinermanns, Chem. Phys. Lett. 344, 113 (2001). 10.1016/S0009-2614(01)00771-0 (Pubitemid 33640181)
-
(2001)
Chemical Physics Letters
, vol.344
, Issue.1-2
, pp. 113-119
-
-
Gerhards, M.1
Jansen, A.2
Unterberg, C.3
Kleinermanns, K.4
-
19
-
-
0000229832
-
-
10.1021/jp9806157
-
C. Jacoby, W. Roth, M. Schmitt, C. Janzen, D. Spangenberg, and K. Kleinermanns, J. Phys. Chem. A 102, 4471 (1998). 10.1021/jp9806157
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 4471
-
-
Jacoby, C.1
Roth, W.2
Schmitt, M.3
Janzen, C.4
Spangenberg, D.5
Kleinermanns, K.6
-
20
-
-
13444291651
-
Hydrogen bonding in phenol, water, and phenol-water clusters
-
DOI 10.1021/jp046499r
-
R. Parthasarathi, V. Subramanian, and N. Sathyamurthy, J. Phys. Chem. A 109, 843 (2005). 10.1021/jp046499r (Pubitemid 40213225)
-
(2005)
Journal of Physical Chemistry A
, vol.109
, Issue.5
, pp. 843-850
-
-
Parthasarath, R.1
Subramanian, V.2
Sathyamurthy, N.3
-
21
-
-
0032267577
-
-
10.1016/S0301-0104(98)00252-3
-
W. Roth, M. Schmitt, C. Jacoby, D. Spangenberg, C. Janzen, and K. Kleinermanns, Chem. Phys. 239, 1 (1998). 10.1016/S0301-0104(98)00252-3
-
(1998)
Chem. Phys.
, vol.239
, pp. 1
-
-
Roth, W.1
Schmitt, M.2
Jacoby, C.3
Spangenberg, D.4
Janzen, C.5
Kleinermanns, K.6
-
22
-
-
21244484294
-
IR/UV and UV/UV double-resonance study of guaiacol and eugenol dimers
-
DOI 10.1063/1.1881232, 164304
-
A. Longarte, C. Redondo, J. A. Fernandez, and F. Castano, J. Chem. Phys. 122, 164304 (2005). 10.1063/1.1881232 (Pubitemid 40890451)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.16
, pp. 1-11
-
-
Longarte, A.1
Redondo, C.2
Fernandez, J.A.3
Castano, F.4
-
23
-
-
3142673524
-
-
10.1063/1.1738646
-
A. Longarte, I. Unamuno, J. A. Fernandez, F. Castano, and C. Redondo, J. Chem. Phys. 121, 209 (2004). 10.1063/1.1738646
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 209
-
-
Longarte, A.1
Unamuno, I.2
Fernandez, J.A.3
Castano, F.4
Redondo, C.5
-
25
-
-
80052205259
-
-
10.1021/jp200909v
-
A. M. Rijs, E. R. Kay, D. A. Leigh, and W. J. Buma, J. Phys. Chem. A 115, 9669 (2011). 10.1021/jp200909v
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 9669
-
-
Rijs, A.M.1
Kay, E.R.2
Leigh, D.A.3
Buma, W.J.4
-
26
-
-
75749083809
-
-
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, 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 A02, Gaussian, Inc., Wallingford, CT, 2009.
-
(2009)
GAUSSIAN 09, Revision A02
-
-
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
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, O.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
27
-
-
84890021933
-
-
10.1080/00268977000101561
-
S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970). 10.1080/00268977000101561
-
(1970)
Mol. Phys.
, vol.19
, pp. 553
-
-
Boys, S.F.1
Bernardi, F.2
-
28
-
-
43349101963
-
-
10.1007/s00214-007-0401-8
-
Y. Zhao and D. Truhlar, Theor. Chem. Acc. 119, 525 (2008). 10.1007/s00214-007-0401-8
-
(2008)
Theor. Chem. Acc.
, vol.119
, pp. 525
-
-
Zhao, Y.1
Truhlar, D.2
-
31
-
-
36549094188
-
-
10.1063/1.458848
-
R. S. Ruoff, T. D. Klots, T. Emilsson, and H. S. Gutowsky, J. Chem. Phys. 93, 3142 (1990). 10.1063/1.458848
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 3142
-
-
Ruoff, R.S.1
Klots, T.D.2
Emilsson, T.3
Gutowsky, H.S.4
-
32
-
-
0011636989
-
-
10.1021/j150643a009
-
A. Oikawa, H. Abe, N. Mikami, and M. Ito, J. Phys. Chem. 87, 5083 (1983). 10.1021/j150643a009
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 5083
-
-
Oikawa, A.1
Abe, H.2
Mikami, N.3
Ito, M.4
|