-
3
-
-
0034683969
-
+) and anthracene and phenanthrene molecules
-
+) and anthracene and phenanthrene molecules. J. Mol. Struct. (Theochem) 2000, 530:201-207.
-
(2000)
J. Mol. Struct. (Theochem)
, vol.530
, pp. 201-207
-
-
Ikuta, S.1
-
4
-
-
0037025230
-
Cation-π interactions between ammonium ion and aromatic rings: an energy decomposition study
-
Aschi M., Mazza F., Di Nola A. Cation-π interactions between ammonium ion and aromatic rings: an energy decomposition study. J. Mol. Struct. (Theochem) 2002, 587:177-188.
-
(2002)
J. Mol. Struct. (Theochem)
, vol.587
, pp. 177-188
-
-
Aschi, M.1
Mazza, F.2
Di Nola, A.3
-
5
-
-
0242417008
-
Interactions with aromatic rings in chemical and biological recognition
-
Meyer E.A., Castellano R.K., Diederich F. Interactions with aromatic rings in chemical and biological recognition. Angew. Chem. Int. Ed. 2003, 42:1210-1250.
-
(2003)
Angew. Chem. Int. Ed.
, vol.42
, pp. 1210-1250
-
-
Meyer, E.A.1
Castellano, R.K.2
Diederich, F.3
-
6
-
-
79955766939
-
Aromatic rings in chemical and biological recognition: energetics and structures
-
Salonen L.M., Ellerman M., Diederich F. Aromatic rings in chemical and biological recognition: energetics and structures. Angew. Chem. Int. Ed. 2011, 50:4808-4842.
-
(2011)
Angew. Chem. Int. Ed.
, vol.50
, pp. 4808-4842
-
-
Salonen, L.M.1
Ellerman, M.2
Diederich, F.3
-
7
-
-
70349782154
-
Binding mechanisms in supramolecular complexes
-
Schneider H.-J. Binding mechanisms in supramolecular complexes. Angew. Chem. Int. Ed. 2009, 48:3924-3977.
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 3924-3977
-
-
Schneider, H.-J.1
-
8
-
-
0022419375
-
Aromatic-aromatic interaction: a mechanism of protein structure stabilization
-
Burley S.K., Petsko G.A. Aromatic-aromatic interaction: a mechanism of protein structure stabilization. Science 1985, 229:23-28.
-
(1985)
Science
, vol.229
, pp. 23-28
-
-
Burley, S.K.1
Petsko, G.A.2
-
10
-
-
0002462375
-
A critical account on π-π stacking in metal complexes with aromatic nitrogen-containing ligands
-
Janiak C. A critical account on π-π stacking in metal complexes with aromatic nitrogen-containing ligands. J. Chem. Soc. Dalton Trans. 2000, 3885-3896.
-
(2000)
J. Chem. Soc. Dalton Trans.
, pp. 3885-3896
-
-
Janiak, C.1
-
11
-
-
0030043489
-
Cation-π interactions in chemistry and biology: a new view of benzene, Phe, Tyr, and Trp
-
Dougherty D.A. Cation-π interactions in chemistry and biology: a new view of benzene, Phe, Tyr, and Trp. Science 1996, 271:163-168.
-
(1996)
Science
, vol.271
, pp. 163-168
-
-
Dougherty, D.A.1
-
14
-
-
80053464530
-
Putting anion-π interactions into perspective
-
Frontera A., Gamez P., Mascal M., Mooibroek T.J., Reedijk J. Putting anion-π interactions into perspective. Angew. Chem. Int. Ed. 2011, 50:9564-9583.
-
(2011)
Angew. Chem. Int. Ed.
, vol.50
, pp. 9564-9583
-
-
Frontera, A.1
Gamez, P.2
Mascal, M.3
Mooibroek, T.J.4
Reedijk, J.5
-
15
-
-
84962408603
-
Anion-aromatic bonding: a case for anion recognition by π-acidic rings
-
Mascal M., Armstrong A., Bartberger M. Anion-aromatic bonding: a case for anion recognition by π-acidic rings. J. Am. Chem. Soc. 2002, 124:6274-6276.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 6274-6276
-
-
Mascal, M.1
Armstrong, A.2
Bartberger, M.3
-
16
-
-
0037167019
-
Interaction of anions with perfluoro aromatic compounds
-
Alkorta I., Rozas I., Elguero J. Interaction of anions with perfluoro aromatic compounds. J. Am. Chem. Soc. 2002, 124:8593-8598.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 8593-8598
-
-
Alkorta, I.1
Rozas, I.2
Elguero, J.3
-
17
-
-
0037119776
-
Anion-π interactions: do they exist?
-
Quiñonero D., Garau C., Rotger C., Frontera A., Ballester P., Costa A., Deyà P.M. Anion-π interactions: do they exist?. Angew. Chem. Int. Ed. 2002, 41:3389-3392.
-
(2002)
Angew. Chem. Int. Ed.
, vol.41
, pp. 3389-3392
-
-
Quiñonero, D.1
Garau, C.2
Rotger, C.3
Frontera, A.4
Ballester, P.5
Costa, A.6
Deyà, P.M.7
-
19
-
-
80052794311
-
RI-MP2 and MPWB1K study of π-anion-π' complexes: MPWB1K performance and some additivity aspects
-
Garau C., Frontera A., Quinonero D., Russo N., Deyà P.M. RI-MP2 and MPWB1K study of π-anion-π' complexes: MPWB1K performance and some additivity aspects. J. Chem. Theory Comput. 2011, 7:3012-3018.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 3012-3018
-
-
Garau, C.1
Frontera, A.2
Quinonero, D.3
Russo, N.4
Deyà, P.M.5
-
20
-
-
79952715301
-
On the directionality of anion-π interactions
-
Estarellas C., Bauzá A., Frontera A., Quiñonero D., Deyà P.M. On the directionality of anion-π interactions. Phys. Chem. Chem. Phys. 2011, 13:5696-5702.
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 5696-5702
-
-
Estarellas, C.1
Bauzá, A.2
Frontera, A.3
Quiñonero, D.4
Deyà, P.M.5
-
21
-
-
77955397345
-
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine
-
Alberto M.E., Mazzone G., Russo N., Sicilia E. The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine. Chem. Commun. 2010, 46:5894-5896.
-
(2010)
Chem. Commun.
, vol.46
, pp. 5894-5896
-
-
Alberto, M.E.1
Mazzone, G.2
Russo, N.3
Sicilia, E.4
-
22
-
-
84858001738
-
Anion-π interactions in molecular recognition
-
Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, K. Bowman-James, A. Bianchi, E. García-España (Eds.)
-
Quiñonero D., Frontera A., Deyà P.M. Anion-π interactions in molecular recognition. Anion Coordination Chemistry 2011, 321. Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. K. Bowman-James, A. Bianchi, E. García-España (Eds.).
-
(2011)
Anion Coordination Chemistry
, pp. 321
-
-
Quiñonero, D.1
Frontera, A.2
Deyà, P.M.3
-
23
-
-
84855446793
-
Combined cation-π and anion-π interactions for zwitterion recognition
-
Perraud O., Robert V., Gornitzka H., Martinez A., Dutasta J.-P. Combined cation-π and anion-π interactions for zwitterion recognition. Angew. Chem. Int. Ed. 2012, 51:504-508.
-
(2012)
Angew. Chem. Int. Ed.
, vol.51
, pp. 504-508
-
-
Perraud, O.1
Robert, V.2
Gornitzka, H.3
Martinez, A.4
Dutasta, J.-P.5
-
24
-
-
78751629926
-
Induction-driven stabilization of the anion-π interaction in electron-rich aromatics as the key to fluoride inclusion in imidazolium-cage receptors
-
Xu Z., Singh N.J., Kim S.K., Spring D.R., Kim K.S., Yoon J. Induction-driven stabilization of the anion-π interaction in electron-rich aromatics as the key to fluoride inclusion in imidazolium-cage receptors. Chem. Eur. J. 2011, 17:1163-1170.
-
(2011)
Chem. Eur. J.
, vol.17
, pp. 1163-1170
-
-
Xu, Z.1
Singh, N.J.2
Kim, S.K.3
Spring, D.R.4
Kim, K.S.5
Yoon, J.6
-
25
-
-
77954003437
-
Experimental evidence for the functional relevance of anion-π interactions
-
Dawson R.E., Hennig A., Weimann D.P., Emery D., Ravikumar V., Montenegro J., Takeuchi T., Gabutti S., Mayor M., Mareda J., Schalley C.A., Matile S. Experimental evidence for the functional relevance of anion-π interactions. Nat. Chem. 2010, 2:533-538.
-
(2010)
Nat. Chem.
, vol.2
, pp. 533-538
-
-
Dawson, R.E.1
Hennig, A.2
Weimann, D.P.3
Emery, D.4
Ravikumar, V.5
Montenegro, J.6
Takeuchi, T.7
Gabutti, S.8
Mayor, M.9
Mareda, J.10
Schalley, C.A.11
Matile, S.12
-
26
-
-
72049106109
-
Small molecule inhibitors of HIV RT ribonuclease H.
-
Di Grandi M., Olson M., Prashad A.S., Bebernitz G., Luckay A., Mullen S., Hu Y.B., Krishnamurthy G., Pitts K., O'Connell J. Small molecule inhibitors of HIV RT ribonuclease H. Bioorg. Med. Chem. Lett. 2010, 20:398-402.
-
(2010)
Bioorg. Med. Chem. Lett.
, vol.20
, pp. 398-402
-
-
Di Grandi, M.1
Olson, M.2
Prashad, A.S.3
Bebernitz, G.4
Luckay, A.5
Mullen, S.6
Hu, Y.B.7
Krishnamurthy, G.8
Pitts, K.9
OConnell, J.10
-
27
-
-
20044387576
-
Selective inhibition of HIV-1 reverse transcriptase-associated ribonuclease H activity by hydroxylated tropolones
-
Budihas S.R., Gorshkova I., Gaidamakov S., Wamiru A., Bona M.K., Parniak M.A., Crouch R.J., McMahon J.B., Beutler J.A., Le Grice S.F.J. Selective inhibition of HIV-1 reverse transcriptase-associated ribonuclease H activity by hydroxylated tropolones. Nucleic Acids Res. 2005, 33:1249-1256.
-
(2005)
Nucleic Acids Res.
, vol.33
, pp. 1249-1256
-
-
Budihas, S.R.1
Gorshkova, I.2
Gaidamakov, S.3
Wamiru, A.4
Bona, M.K.5
Parniak, M.A.6
Crouch, R.J.7
McMahon, J.B.8
Beutler, J.A.9
Le Grice, S.F.J.10
-
28
-
-
28844487356
-
Inhibition of human immunodeficiency virus type 1 reverse transcriptase, RNase H, and integrase activities by hydroxytropolones
-
Didierjean J., Isel C., Querre F., Mouscadet J.F., Aubertin A.M., Valnot J.Y., Piettre S.R., Marquet R. Inhibition of human immunodeficiency virus type 1 reverse transcriptase, RNase H, and integrase activities by hydroxytropolones. Antimicrob. Agents Chemother. 2005, 49:4884-4894.
-
(2005)
Antimicrob. Agents Chemother.
, vol.49
, pp. 4884-4894
-
-
Didierjean, J.1
Isel, C.2
Querre, F.3
Mouscadet, J.F.4
Aubertin, A.M.5
Valnot, J.Y.6
Piettre, S.R.7
Marquet, R.8
-
29
-
-
79960189034
-
Synthesis, activity, and structural analysis of novel α-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H
-
Chung S., Himmel D.M., Jiang J.-K., Wojtak K., Bauman J.D., Rausch J.W., Wilson J.A., Beutler J.A., Thomas C.J., Arnold E., Le Grice S.F.J. Synthesis, activity, and structural analysis of novel α-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. J. Med. Chem. 2011, 54:4462-4473.
-
(2011)
J. Med. Chem.
, vol.54
, pp. 4462-4473
-
-
Chung, S.1
Himmel, D.M.2
Jiang, J.-K.3
Wojtak, K.4
Bauman, J.D.5
Rausch, J.W.6
Wilson, J.A.7
Beutler, J.A.8
Thomas, C.J.9
Arnold, E.10
Le Grice, S.F.J.11
-
30
-
-
4243539377
-
Electronic structure calculations on workstation computers: the program system turbomole
-
Ahlrichs R., Bär M., Hacer M., Horn H., Kölmel C. Electronic structure calculations on workstation computers: the program system turbomole. Chem. Phys. Lett. 1989, 162:165-169.
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165-169
-
-
Ahlrichs, R.1
Bär, M.2
Hacer, M.3
Horn, H.4
Kölmel, C.5
-
31
-
-
20344381993
-
Use of approximate integrals in ab initio theory. An application in MP2 energy calculations
-
Feyereisen M.W., Fitzgerald G., Komornicki A. Use of approximate integrals in ab initio theory. An application in MP2 energy calculations. Chem. Phys. Lett. 1993, 208:359-363.
-
(1993)
Chem. Phys. Lett.
, vol.208
, pp. 359-363
-
-
Feyereisen, M.W.1
Fitzgerald, G.2
Komornicki, A.3
-
33
-
-
20344381816
-
Structure and binding energy of anion-π and cation-π complexes: a comparison of MP2, RI-MP2, DFT, and DF-DFT methods
-
Frontera A., Quiñonero D., Garau C., Ballester P., Costa A., Deyà P.M. Structure and binding energy of anion-π and cation-π complexes: a comparison of MP2, RI-MP2, DFT, and DF-DFT methods. J. Phys. Chem. A 2005, 109:4632-4637.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 4632-4637
-
-
Frontera, A.1
Quiñonero, D.2
Garau, C.3
Ballester, P.4
Costa, A.5
Deyà, P.M.6
-
34
-
-
33646398605
-
Ab Initio study of [n.n]paracyclophane (n=2, 3) complexes with cations: unprecedented through-space substituent effects
-
Quiñonero D., Garau C., Frontera A., Ballester P., Costa A., Deyà P.M. Ab Initio study of [n.n]paracyclophane (n=2, 3) complexes with cations: unprecedented through-space substituent effects. J. Phys. Chem. A 2006, 110:5144-5148.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 5144-5148
-
-
Quiñonero, D.1
Garau, C.2
Frontera, A.3
Ballester, P.4
Costa, A.5
Deyà, P.M.6
-
35
-
-
79955722961
-
A methodological analysis for the assessment of non-covalent π interactions
-
Quiñonero D., Estarellas C., Frontera A., Deyà P.M. A methodological analysis for the assessment of non-covalent π interactions. Chem. Phys. Lett. 2011, 508:144-148.
-
(2011)
Chem. Phys. Lett.
, vol.508
, pp. 144-148
-
-
Quiñonero, D.1
Estarellas, C.2
Frontera, A.3
Deyà, P.M.4
-
36
-
-
84890021933
-
The calculation of small molecular interactions by the difference of separate total energies. Some procedures with reduced errors
-
Boys S.F., Bernardi F. The calculation of small molecular interactions by the difference of separate total energies. Some procedures with reduced errors. Mol. Phys. 1970, 19:553-566.
-
(1970)
Mol. Phys.
, vol.19
, pp. 553-566
-
-
Boys, S.F.1
Bernardi, F.2
-
37
-
-
0345401784
-
A quantum theory of molecular structure and its applications
-
Bader R.F.W. A quantum theory of molecular structure and its applications. Chem. Rev. 1991, 91:893-928.
-
(1991)
Chem. Rev.
, vol.91
, pp. 893-928
-
-
Bader, R.F.W.1
-
38
-
-
0035871851
-
AIM2000 - a program to analyze and visualize atoms in molecules
-
Biegler-König F., Schönbohm J., Bayles D. AIM2000 - a program to analyze and visualize atoms in molecules. J. Comput. Chem. 2001, 22:545-559.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 545-559
-
-
Biegler-König, F.1
Schönbohm, J.2
Bayles, D.3
-
39
-
-
11644300961
-
Comparison of methods for deriving atomic charges from the electrostatic potential and moments
-
Sigfridson E., Ryde U. Comparison of methods for deriving atomic charges from the electrostatic potential and moments. J. Comput. Chem. 1998, 19:377-395.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 377-395
-
-
Sigfridson, E.1
Ryde, U.2
-
40
-
-
0346101647
-
A topological analysis of the electron density in anion-π interactions
-
Garau C., Frontera A., Quinonero D., Ballester P., Costa A., Deyà P.M. A topological analysis of the electron density in anion-π interactions. ChemPhysChem 2003, 4:1344-1348.
-
(2003)
ChemPhysChem
, vol.4
, pp. 1344-1348
-
-
Garau, C.1
Frontera, A.2
Quinonero, D.3
Ballester, P.4
Costa, A.5
Deyà, P.M.6
-
41
-
-
2942701830
-
Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features
-
Garau C., Frontera A., Quinonero D., Ballester P., Costa A., Deyà P.M. Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features. Chem. Phys. Lett. 2004, 392:85-89.
-
(2004)
Chem. Phys. Lett.
, vol.392
, pp. 85-89
-
-
Garau, C.1
Frontera, A.2
Quinonero, D.3
Ballester, P.4
Costa, A.5
Deyà, P.M.6
-
42
-
-
0005355447
-
A bond path: a universal indicator of bonded interactions
-
Bader R.F.W. A bond path: a universal indicator of bonded interactions. J. Phys. Chem. A 1998, 102:7314-7323.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 7314-7323
-
-
Bader, R.F.W.1
-
43
-
-
0001752768
-
The Cambridge structural database: a quarter of a million crystal structures and rising
-
Allen F.H. The Cambridge structural database: a quarter of a million crystal structures and rising. Acta Crystallogr. 2002, B58:380-388.
-
(2002)
Acta Crystallogr.
, vol.58 B
, pp. 380-388
-
-
Allen, F.H.1
-
44
-
-
0001242082
-
Correlation of biological activity in β-lactam antibiotics with woodward and cohen structural parameters - a Cambridge database study
-
Nangia A., Biradha K., Desiraju G.R. Correlation of biological activity in β-lactam antibiotics with woodward and cohen structural parameters - a Cambridge database study. J. Chem. Soc. Perkin Trans. 1996, 2:943-953.
-
(1996)
J. Chem. Soc. Perkin Trans.
, vol.2
, pp. 943-953
-
-
Nangia, A.1
Biradha, K.2
Desiraju, G.R.3
-
45
-
-
4243590691
-
The crystal and molecular structure of 3-methoxypentafluorotropone at -50°C
-
Hamor M.J., Hamor T.A. The crystal and molecular structure of 3-methoxypentafluorotropone at -50°C. Acta Crystallogr. 1976, B32:2475-2480.
-
(1976)
Acta Crystallogr.
, vol.32 B
, pp. 2475-2480
-
-
Hamor, M.J.1
Hamor, T.A.2
-
46
-
-
34250704806
-
Influence of pH and counteranion on the structure of tropolonato-lead(ii) complexes: structural and infrared characterization of formed lead compounds
-
Lyczko K., Starosta W., Persson I. Influence of pH and counteranion on the structure of tropolonato-lead(ii) complexes: structural and infrared characterization of formed lead compounds. Inorg. Chem. 2007, 46:4402-4410.
-
(2007)
Inorg. Chem.
, vol.46
, pp. 4402-4410
-
-
Lyczko, K.1
Starosta, W.2
Persson, I.3
|