-
8
-
-
0004004326
-
-
edited by P. Schuster, G. Zundel, and C. Sandorfy (North-Holland, Amsterdam).
-
The Hydrogen Bond. Recent Developments in Theory and Experiments, edited by, P. Schuster, G. Zundel, and, C. Sandorfy, (North-Holland, Amsterdam, 1976).
-
(1976)
The Hydrogen Bond. Recent Developments in Theory and Experiments
-
-
-
9
-
-
0001307597
-
-
in, edited by P. Schuster, G. Zundel, and C. Sandorfy (North-Holland, Amsterdam), vol.
-
D. Hadzi and S. Bratos, in The Hydrogen Bond. Recent Developments in Theory and Experiments, edited by, P. Schuster, G. Zundel, and, C. Sandorfy, (North-Holland, Amsterdam, 1976), vol. 2, p. 565.
-
(1976)
The Hydrogen Bond. Recent Developments in Theory and Experiments
, vol.2
, pp. 565
-
-
Hadzi, D.1
Bratos, S.2
-
14
-
-
84890241930
-
-
edited by S. J. Grabowski (Springer, Dordrecht).
-
Hydrogen Bonding-New Insights, edited by, S. J. Grabowski, (Springer, Dordrecht, 2006).
-
(2006)
Hydrogen Bonding-New Insights
-
-
-
18
-
-
84985524357
-
-
10.1002/anie.198711751
-
P. Seiler, G. R. Weisman, E. D. Glendening, F. Weinhold, V. B. Johnson, and J. D. Dunitz, Angew. Chem., Int. Ed. Engl. 26, 1175 (1987). 10.1002/anie.198711751
-
(1987)
Angew. Chem., Int. Ed. Engl.
, vol.26
, pp. 1175
-
-
Seiler, P.1
Weisman, G.R.2
Glendening, E.D.3
Weinhold, F.4
Johnson, V.B.5
Dunitz, J.D.6
-
20
-
-
0000158382
-
-
10.1021/ja00003a034
-
K. B. Wiberg, R. F. Waldron, G. Schulte, and M. Saunders, J. Am. Chem. Soc. 113, 971 (1991). 10.1021/ja00003a034
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 971
-
-
Wiberg, K.B.1
Waldron, R.F.2
Schulte, G.3
Saunders, M.4
-
22
-
-
77955481530
-
-
10.1002/chem.201000479
-
P. D. Vaz, M. M. Nolasco, F. P. S. C. Gil, P. J. A. Ribeiro-Claro, and J. Tomkinson, Chem. Eur. J. 16, 9010 (2010). 10.1002/chem.201000479
-
(2010)
Chem. Eur. J.
, vol.16
, pp. 9010
-
-
Vaz, P.D.1
Nolasco, M.M.2
Gil, F.P.S.C.3
Ribeiro-Claro, P.J.A.4
Tomkinson, J.5
-
23
-
-
77953707946
-
-
10.1016/j.molstruc.2010.02.017
-
B. J. v. d. Veken, S. N. Delanoye, B. Michielsen, and W. A. Herrebout, J. Mol. Struct. 976, 97 (2010). 10.1016/j.molstruc.2010.02.017
-
(2010)
J. Mol. Struct.
, vol.976
, pp. 97
-
-
B, D.V.J.V.1
Delanoye, S.N.2
Michielsen, B.3
Herrebout, W.A.4
-
24
-
-
84889363064
-
-
(John Wiley and Sons, Hoboken, NJ).
-
V. I. Bakhmutov, Dihydrogen Bond: Principles, Experiments, and Applications (John Wiley and Sons, Hoboken, NJ, 2008).
-
(2008)
Dihydrogen Bond: Principles, Experiments, and Applications
-
-
Bakhmutov, V.I.1
-
27
-
-
77958599096
-
-
10.1039/c0cp00771d
-
B. Michielsen, J. J. J. Dom, B. J. v. d. Veken, S. Hesse, Z. Xue, M. A. Suhm, and W. A. Herrebout, Phys. Chem. Chem. Phys. 12, 14034 (2010). 10.1039/c0cp00771d
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 14034
-
-
Michielsen, B.1
Dom, J.J.J.2
B, D.V.J.V.3
Hesse, S.4
Xue, Z.5
Suhm, M.A.6
Herrebout, W.A.7
-
30
-
-
77957589279
-
-
10.1002/anie.201001892
-
S. Rizzato, J. Bergs, S. A. Mason, A. Albinati, and J. Kozelka, Angew. Chem., Int. Ed. Engl. 49, 7440 (2010). 10.1002/anie.201001892
-
(2010)
Angew. Chem., Int. Ed. Engl.
, vol.49
, pp. 7440
-
-
Rizzato, S.1
Bergs, J.2
Mason, S.A.3
Albinati, A.4
Kozelka, J.5
-
33
-
-
79952500612
-
Defining the hydrogen bond: An account
-
(in press).
-
E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci, and D. J. Nesbitt, Defining the hydrogen bond: An account., Pure Appl. Chem. (in press).
-
Pure Appl. Chem.
-
-
Arunan, E.1
Desiraju, G.R.2
Klein, R.A.3
Sadlej, J.4
Scheiner, S.5
Alkorta, I.6
Clary, D.C.7
Crabtree, R.H.8
Dannenberg, J.J.9
Hobza, P.10
Kjaergaard, H.G.11
Legon, A.C.12
Mennucci, B.13
Nesbitt, D.J.14
-
34
-
-
0001695572
-
-
10.1107/S0108768197010227
-
F. H. Allen, J. P. M. Lommerse, V. J. Hoy, J. A. K. Howard, and G. R. Desiraju, Acta Crystallogr. B53, 1006 (1997). 10.1107/S0108768197010227
-
(1997)
Acta Crystallogr.
, vol.53
, pp. 1006
-
-
Allen, F.H.1
Lommerse, J.P.M.2
Hoy, V.J.3
Howard, J.A.K.4
Desiraju, G.R.5
-
35
-
-
0033198577
-
Nitrogen-halogen intermolecular forces in solution [22]
-
DOI 10.1021/ja991653m
-
P. L. Wash, S. Ma, U. Obst, and J. Rebek, J. Am. Chem. Soc. 121, 7973 (1999). 10.1021/ja991653m (Pubitemid 29420535)
-
(1999)
Journal of the American Chemical Society
, vol.121
, Issue.34
, pp. 7973-7974
-
-
Wash, P.L.1
Ma, S.2
Obst, U.3
Rebek Jr., J.4
-
36
-
-
0034226354
-
-
10.1021/jp000922o
-
A. Karpfen, J. Phys. Chem. A 104, 6871 (2000). 10.1021/jp000922o
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 6871
-
-
Karpfen, A.1
-
37
-
-
1842688345
-
Halogen Bonding and ππ Stacking Control Reactivity in the Solid State
-
DOI 10.1021/ja039884n
-
T. Caronna, R. Liantonio, T. A. Logothetis, P. Metrangolo, T. Pilati, and G. Resnati, J. Am. Chem. Soc. 126, 4500 (2004). 10.1021/ja039884n (Pubitemid 38469082)
-
(2004)
Journal of the American Chemical Society
, vol.126
, Issue.14
, pp. 4500-4501
-
-
Caronna, T.1
Liantonio, R.2
Logothetis, T.A.3
Metrangolo, P.4
Pilati, T.5
Resnati, G.6
-
38
-
-
10044239249
-
Halogen bonds in biological molecules
-
DOI 10.1073/pnas.0407607101
-
P. Auffinger, F. A. Hays, E. Westhof, and P. S. Ho, Proc. Nat. Acad. Sci. U. S. A. 101, 16789 (2004). 10.1073/pnas.0407607101 (Pubitemid 39601317)
-
(2004)
Proceedings of the National Academy of Sciences of the United States of America
, vol.101
, Issue.48
, pp. 16789-16794
-
-
Auffinger, P.1
Hays, F.A.2
Westhof, E.3
Ho, P.S.4
-
39
-
-
33846687108
-
An overview of halogen bonding
-
DOI 10.1007/s00894-006-0154-7, Special Issue
-
P. Politzer, P. Lane, M. C. Concha, Y. Ma, and J. S. Murray, J. Mol. Model. 13, 305 (2007). 10.1007/s00894-006-0154-7 (Pubitemid 46189160)
-
(2007)
Journal of Molecular Modeling
, vol.13
, Issue.2
, pp. 305-311
-
-
Politzer, P.1
Lane, P.2
Concha, M.C.3
Ma, Y.4
Murray, J.S.5
-
42
-
-
0037019551
-
Statistical and theoretical investigations on the directionality of nonbonded S···O interactions. Implications for molecular design and protein engineering
-
DOI 10.1021/ja026472q
-
M. Iwaoka, S. Takemoto, and S. Tomoda, J. Am. Chem. Soc. 124, 10613 (2002). 10.1021/ja026472q (Pubitemid 34977414)
-
(2002)
Journal of the American Chemical Society
, vol.124
, Issue.35
, pp. 10613-10620
-
-
Iwaoka, M.1
Takemoto, S.2
Tomoda, S.3
-
43
-
-
56249147061
-
-
10.1073/pnas.0806129105
-
F. R. Fischer, P. A. Wood, F. H. Allen, and F. Diederich, Proc. Nat. Acad. Sci. U. S. A. 105, 17290 (2008). 10.1073/pnas.0806129105
-
(2008)
Proc. Nat. Acad. Sci. U. S. A.
, vol.105
, pp. 17290
-
-
Fischer, F.R.1
Wood, P.A.2
Allen, F.H.3
Diederich, F.4
-
44
-
-
67650547528
-
-
10.1021/ja901188y
-
A. Choudhary, D. Gandla, G. R. Krow, and R. T. Raines, J. Am. Chem. Soc. 131, 7244 (2009). 10.1021/ja901188y
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 7244
-
-
Choudhary, A.1
Gandla, D.2
Krow, G.R.3
Raines, R.T.4
-
46
-
-
78649809260
-
-
10.1002/qua.22446
-
W. Wang, J. Xin, Y. Zhang, W. Wang, and Y. Lu, Int. J. Quantum Chem. 111, 644 (2011). 10.1002/qua.22446
-
(2011)
Int. J. Quantum Chem.
, vol.111
, pp. 644
-
-
Wang, W.1
Xin, J.2
Zhang, Y.3
Wang, W.4
Lu, Y.5
-
48
-
-
0038626673
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Gaussian, Inc., Pittsburgh, PA, 2003.
-
(2003)
GAUSSIAN 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
49
-
-
33746614482
-
-
10.1063/1.456153
-
T. H. J. Dunning, J. Chem. Phys. 90, 1007 (1989). 10.1063/1.456153
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, T.H.J.1
-
50
-
-
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
-
51
-
-
36549094737
-
-
10.1063/1.449928
-
A. E. Reed, F. Weinhold, L. A. Curtiss, and D. J. Pochatko, J. Chem. Phys. 84, 5687 (1986). 10.1063/1.449928
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 5687
-
-
Reed, A.E.1
Weinhold, F.2
Curtiss, L.A.3
Pochatko, D.J.4
-
53
-
-
84893169025
-
-
10.1002/jcc.540141112
-
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, and K. A. Nguyen, J. Comput. Chem. 14, 1347 (1993). 10.1002/jcc.540141112
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
-
55
-
-
0001839897
-
-
in, edited by P. Politzer and D. G. Truhlar (Plenum, New York)
-
K. Morokuma and K. Kitaura, in Chemical Applications of Atomic and Molecular Electrostatic Potentials, edited by, P. Politzer, and, D. G. Truhlar, (Plenum, New York, 1981), p. 215.
-
(1981)
Chemical Applications of Atomic and Molecular Electrostatic Potentials
, pp. 215
-
-
Morokuma, K.1
Kitaura, K.2
-
56
-
-
0002592163
-
-
in, edited by S. Scheiner (Wiley, New York)
-
K. Szalewicz and B. Jeziorski, in Molecular Interactions. From Van der Waals to Strongly Bound Complexes, edited by, S. Scheiner, (Wiley, New York, 1997), p. 3.
-
(1997)
Molecular Interactions. from Van der Waals to Strongly Bound Complexes
, pp. 3
-
-
Szalewicz, K.1
Jeziorski, B.2
-
57
-
-
0000478908
-
-
10.1063/1.470171
-
R. Moszynski, P. E. S. Wormer, B. Jeziorski, and A. Van Der Avoird, J. Chem. Phys. 103, 8058 (1995). 10.1063/1.470171
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8058
-
-
Moszynski, R.1
Wormer, P.E.S.2
Jeziorski, B.3
Van Der Avoird, A.4
-
58
-
-
79952501897
-
-
MOLPRO, a package of ab initio programs designed by, version 2010.
-
MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, version 2010, F. R. Manby, M. Schtz, P. Celani
-
-
-
Werner, H.-J.1
Knowles, P.J.2
Manby, F.R.3
Schtz, M.4
Celani, P.5
-
61
-
-
0033578736
-
-
10.1002/(SICI)1521-3773(19990917)38:182686::AID-ANIE26863.0.CO;2-6
-
A. C. Legon, Angew. Chem., Int. Ed. Engl. 38, 2686 (1999). 10.1002/(SICI)1521-3773(19990917)38:182686::AID-ANIE26863.0.CO;2-6
-
(1999)
Angew. Chem., Int. Ed. Engl.
, vol.38
, pp. 2686
-
-
Legon, A.C.1
-
62
-
-
20444479110
-
Halogen bonding based recognition processes: A world parallel to hydrogen bonding
-
DOI 10.1021/ar0400995
-
P. Metrangolo, H. Neukirch, T. Pilati, and G. Resnati, Acc. Chem. Res. 38, 386 (2005). 10.1021/ar0400995 (Pubitemid 40816650)
-
(2005)
Accounts of Chemical Research
, vol.38
, Issue.5
, pp. 386-395
-
-
Metrangolo, P.1
Neukirch, H.2
Pilati, T.3
Resnati, G.4
-
63
-
-
34347385022
-
Halogen bonding and the design of new materials: Organic bromides, chlorides and perhaps even fluorides as donors
-
DOI 10.1007/s00894-007-0176-9, International conference and workshop: Modeling and Design of Molecular Materials, 10-15 September 2006, Wrocklaw, Poland
-
P. Politzer, J. S. Murray, and M. C. Concha, J. Mol. Model. 13, 643 (2007). 10.1007/s00894-007-0176-9 (Pubitemid 47023388)
-
(2007)
Journal of Molecular Modeling
, vol.13
, Issue.6-7
, pp. 643-650
-
-
Politzer, P.1
Murray, J.S.2
Concha, M.C.3
-
64
-
-
55949118406
-
-
10.1021/jp806101t
-
I. Alkorta, F. Blanco, M. Solimannejad, and J. Elguero, J. Phys. Chem. A 112, 10856 (2008). 10.1021/jp806101t
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 10856
-
-
Alkorta, I.1
Blanco, F.2
Solimannejad, M.3
Elguero, J.4
-
65
-
-
0030567353
-
The nature and geometry of intermolecular interactions between halogens and oxygen or nitrogen
-
DOI 10.1021/ja953281x
-
J. P. M. Lommerse, A. J. Stone, R. Taylor, and F. H. Allen, J. Am. Chem. Soc. 118, 3108 (1996). 10.1021/ja953281x (Pubitemid 26135501)
-
(1996)
Journal of the American Chemical Society
, vol.118
, Issue.13
, pp. 3108-3116
-
-
Lommerse, J.P.M.1
Stone, A.J.2
Taylor, R.3
Allen, F.H.4
-
66
-
-
1842502857
-
13C NMR Study of Halogen Bonding of Haloarenes: Measurements of Solvent Effects and Theoretical Analysis
-
DOI 10.1021/ja0383672
-
R. Glaser, N. Chen, H. Wu, N. Knotts, and M. Kaupp, J. Am. Chem. Soc. 126, 4412 (2004). 10.1021/ja0383672 (Pubitemid 38453898)
-
(2004)
Journal of the American Chemical Society
, vol.126
, Issue.13
, pp. 4412-4419
-
-
Glaser, R.1
Chen, N.2
Wu, H.3
Knotts, N.4
Kaupp, M.5
-
67
-
-
12444260823
-
3: Towards understanding the nature of halogen bonding and the electron-accepting propensities of covalently bonded halogen atoms
-
DOI 10.1002/chem.200400504
-
J.-W. Zou, Y.-J. Jiang, M. Guo, G.-X. Hu, B. Zhang, H.-C. Liu, and Q.-S. Yu, Chem. Eur. J. 11, 740 (2005). 10.1002/chem.200400504 (Pubitemid 40147682)
-
(2005)
Chemistry - A European Journal
, vol.11
, Issue.2
, pp. 740-751
-
-
Zou, J.-W.1
Jiang, Y.-J.2
Guo, M.3
Hu, G.-X.4
Zhang, B.5
Liu, H.-C.6
Yu, Q.-S.7
-
68
-
-
33644817644
-
-
10.1016/j.theochem.2005.10.016
-
O. K. Poleshchuk, V. Branchadell, B. Brycki, A. V. Fateev, and A. C. Legon, J. Mol. Struct.: THEOCHEM 760, 175 (2006). 10.1016/j.theochem.2005.10.016
-
(2006)
J. Mol. Struct.: THEOCHEM
, vol.760
, pp. 175
-
-
Poleshchuk, O.K.1
Branchadell, V.2
Brycki, B.3
Fateev, A.V.4
Legon, A.C.5
-
69
-
-
61449098598
-
-
10.1021/ct8004134
-
K. A. Riley, J. S. Murray, P. Politzer, M. C. Concha, and P. Hobza, J. Chem. Theory Comput. 5, 155 (2009). 10.1021/ct8004134
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 155
-
-
Riley, K.A.1
Murray, J.S.2
Politzer, P.3
Concha, M.C.4
Hobza, P.5
-
71
-
-
34547957478
-
A predicted new type of directional noncovalent interaction
-
DOI 10.1002/qua.21352
-
J. S. Murray, P. Lane, and P. Politzer, Int. J. Quantum Chem. 107, 2286 (2007). 10.1002/qua.21352 (Pubitemid 47265393)
-
(2007)
International Journal of Quantum Chemistry
, vol.107
, Issue.12
, pp. 2286-2292
-
-
Murray, J.S.1
Lane, P.2
Politzer, P.3
-
73
-
-
77549086266
-
-
10.1016/j.theochem.2010.01.022
-
M. Palusiak, J. Mol. Struct.: THEOCHEM 945, 89 (2010). 10.1016/j.theochem.2010.01.022
-
(2010)
J. Mol. Struct.: THEOCHEM
, vol.945
, pp. 89
-
-
Palusiak, M.1
-
76
-
-
84988098082
-
-
10.1002/jcc.540100503
-
J. E. Del Bene, J. Comput. Chem. 10, 603 (1989). 10.1002/jcc.540100503
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 603
-
-
Del Bene, J.E.1
|