J. ?erný and P. Hobza, Non-covalent interactions in biomacromolecules, Physical Chemistry Chemical Physics, vol.105, issue.39, pp.5291-5303, 2007.
DOI : 10.1039/b704781a

P. Auffinger, F. A. Hays, E. Westhof, and P. S. Ho, Halogen bonds in biological molecules, Proceedings of the National Academy of Sciences, vol.101, issue.48, pp.16789-16794, 2004.
DOI : 10.1073/pnas.0407607101

URL : https://hal.archives-ouvertes.fr/hal-00104327

S. K. Burley and G. A. Petsko, Aromatic-aromatic interaction: a mechanism of protein structure stabilization, Science, vol.229, issue.4708, pp.23-28, 1985.
DOI : 10.1126/science.3892686

S. Aravinda, N. Shamala, C. Das, A. Sriranjini, I. L. Karle et al., Aromatic???Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues, Journal of the American Chemical Society, vol.125, issue.18, pp.5308-5315, 2003.
DOI : 10.1021/ja0341283

J. ?erný, M. Kabelá?, and P. Hobza, Double-Helical ??? Ladder Structural Transition in the B-DNA is Induced by a Loss of Dispersion Energy, Journal of the American Chemical Society, vol.130, issue.47, pp.16055-16059, 2008.
DOI : 10.1021/ja805428q

P. Yakovchuk, E. Protozanova, and M. D. Frank-kamenetskii, Base-stacking and base-pairing contributions into thermal stability of the DNA double helix, Nucleic Acids Research, vol.34, issue.2, pp.564-574, 2006.
DOI : 10.1093/nar/gkj454

J. Grunenberg, Complexity in molecular recognition, Physical Chemistry Chemical Physics, vol.132, issue.21, pp.10136-10146, 2011.
DOI : 10.1039/c1cp20097f

L. M. Salonen, M. Ellermann, and F. Diederich, Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures, Angewandte Chemie International Edition, vol.50, issue.21, pp.4808-4842, 2011.
DOI : 10.1002/anie.201007560

T. Vacas, F. Corzana, G. Jiménez-osés, C. González, A. M. Gómez et al., Role of Aromatic Rings in the Molecular Recognition of Aminoglycoside Antibiotics: Implications for Drug Design, Journal of the American Chemical Society, vol.132, issue.34, pp.12074-12090, 2010.
DOI : 10.1021/ja1046439

M. O. Sinnokrot and C. D. Sherrill, High-Accuracy Quantum Mechanical Studies of ??????? Interactions in Benzene Dimers, The Journal of Physical Chemistry A, vol.110, issue.37, pp.10656-10668, 2006.
DOI : 10.1021/jp0610416

S. Tsuzuki, K. Honda, T. Uchimaru, M. Mikami, and K. Tanabe, Origin of Attraction and Directionality of the ??/?? Interaction:?? Model Chemistry Calculations of Benzene Dimer Interaction, Journal of the American Chemical Society, vol.124, issue.1, pp.104-112, 2002.
DOI : 10.1021/ja0105212

M. Pito?ák, P. Neogrády, J. R?-ezá?, P. Jure?ka, M. Urban et al., Benzene Dimer: High-Level Wave Function and Density Functional Theory Calculations, Journal of Chemical Theory and Computation, vol.4, issue.11, pp.1829-1834, 2008.
DOI : 10.1021/ct800229h

E. Arunan and H. S. Gutowsky, The rotational spectrum, structure and dynamics of a benzene dimer, The Journal of Chemical Physics, vol.98, issue.5, pp.4294-4296, 1993.
DOI : 10.1063/1.465035

M. Miyazaki and M. Fujii, Real time observation of the excimer formation dynamics of a gas phase benzene dimer by picosecond pump???probe spectroscopy, Phys. Chem. Chem. Phys., vol.129, issue.39, pp.25989-25997, 2015.
DOI : 10.1039/C5CP03010B

E. C. Lee, D. Kim, P. Jure?ka, P. Tarakeshwar, P. Hobza et al., Understanding of Assembly Phenomena by Aromatic???Aromatic Interactions:?? Benzene Dimer and the Substituted Systems, The Journal of Physical Chemistry A, vol.111, issue.18, pp.3446-3457, 2007.
DOI : 10.1021/jp068635t

A. L. Ringer and C. D. Sherrill, Substituent Effects in Sandwich Configurations of Multiply Substituted Benzene Dimers Are Not Solely Governed By Electrostatic Control, Journal of the American Chemical Society, vol.131, issue.13, pp.4574-4575, 2009.
DOI : 10.1021/ja809720r

M. O. Sinnokrot and C. D. Sherrill, Unexpected Substituent Effects in Face-to-Face ??-Stacking Interactions, The Journal of Physical Chemistry A, vol.107, issue.41, pp.8377-8379, 2003.
DOI : 10.1021/jp030880e

S. A. Arnstein and C. D. Sherrill, Substituent effects in parallel-displaced ??????? interactions, Physical Chemistry Chemical Physics, vol.19, issue.19, pp.2646-2655, 2008.
DOI : 10.1039/b718742d

C. A. Hunter and J. K. Sanders, The nature of .pi.-.pi. interactions, Journal of the American Chemical Society, vol.112, issue.14, pp.5525-5534, 1990.
DOI : 10.1021/ja00170a016

M. Kabelá?, C. Plützer, K. Kleinermanns, and P. Hobza, Isomer selective IR experiments and correlated ab initio quantum chemical calculations support planar H-bonded structure of the 7-methyl adenine?adenine and stacked structure of the 9-methyl adenine?adenine base pairs, Physical Chemistry Chemical Physics, vol.6, issue.10, pp.2781-2785, 2004.
DOI : 10.1039/b316433k

R. Leist, J. A. Frey, P. Ottiger, H. Frey, S. Leutwyler et al., Nucleobase???Fluorobenzene Interactions: Hydrogen Bonding Wins over ?? Stacking, Angewandte Chemie International Edition, vol.113, issue.39, pp.7449-7452, 2007.
DOI : 10.1002/anie.200701171

M. Guin, G. N. Patwari, S. Karthikeyan, and K. S. Kim, Do N-heterocyclic aromatic rings prefer ??-stacking?, Physical Chemistry Chemical Physics, vol.825, issue.13, pp.5514-5525, 2011.
DOI : 10.1039/c0cp02015j

M. P. Callahan, Z. Gengeliczki, N. Svadlenak, H. Valdes, P. Hobza et al., Non-standard base pairing and stacked structures in methyl xanthine clusters, Physical Chemistry Chemical Physics, vol.29, issue.19, pp.2819-2826, 2008.
DOI : 10.1039/b719874d

N. Yamamoto, K. Hino, K. Mogi, K. Ohashi, Y. Sakai et al., Hole-burning spectroscopy and ab initio calculations for the aniline dimer, Chemical Physics Letters, vol.342, issue.3-4, pp.417-424, 2001.
DOI : 10.1016/S0009-2614(01)00599-1

T. Goly, U. Spoerel, and W. Stahl, The microwave spectrum of the 1,2-difluorobenzene dimer, Chemical Physics, vol.283, issue.1-2, pp.289-296, 2002.
DOI : 10.1016/S0301-0104(02)00500-1

F. Lahmani, C. Lardeux-dedonder, D. Solgadi, and A. Zehnacker, Molecular jet study and calculations of the vibronic structure of the aniline-benzene van der Waals complex, Chemical Physics, vol.120, issue.2, pp.215-223, 1988.
DOI : 10.1016/0301-0104(88)87167-2

C. Lahmani, D. Lardeux-dedonder, A. Solgadi, and . Zehnacker, Spectroscopic study of the anisole-benzene complex formed in a supersonic free jet, The Journal of Physical Chemistry, vol.93, issue.10, pp.3984-3989, 1989.
DOI : 10.1021/j100347a024

S. Maity, G. N. Patwari, R. Sedlak, and P. Hobza, A ??-stacked phenylacetylene dimer, Physical Chemistry Chemical Physics, vol.4, issue.37, pp.16706-16712, 2011.
DOI : 10.1039/c1cp20677j

N. Schiccheri, M. Pasquini, G. Piani, G. Pietraperzia, M. Becucci et al., Integrated experimental and computational spectroscopy study on ??-stacking interaction: the anisole dimer, Physical Chemistry Chemical Physics, vol.208, issue.926, pp.13547-13554, 2010.
DOI : 10.1039/c002992k

R. Brause, M. Santa, M. Schmitt, and K. Kleinermanns, Determination of the Geometry Change of the Phenol Dimer upon Electronic Excitation, ChemPhysChem, vol.14, issue.9, pp.1394-1401, 2007.
DOI : 10.1002/cphc.200700127

S. Yan and L. H. Spangler, Intermolecular modes of S1 p-cresol dimer; information concerning structure and dynamics, The Journal of Physical Chemistry, vol.95, issue.10, pp.3915-3918, 1991.
DOI : 10.1021/j100163a007

S. K. Singh, S. Kumar, and A. Das, * and conventional hydrogen bonding (N???H???N) interactions: an ab initio study of the complexes of 7-azaindole and fluorosubstituted pyridines, Phys. Chem. Chem. Phys., vol.88, issue.19, pp.8819-8827, 2014.
DOI : 10.1039/C3CP54169J

S. Kumar, P. Biswas, I. Kaul, and A. Das, ??????Pyridine Trimer Studied in a Supersonic Jet, The Journal of Physical Chemistry A, vol.115, issue.26, pp.7461-7472, 2011.
DOI : 10.1021/jp202658r

J. G. Hill and A. Das, Interaction in the indole???imidazole heterodimer: structure, Franck???Condon analysis and energy decomposition, Physical Chemistry Chemical Physics, vol.12, issue.23, pp.11754-11762, 2014.
DOI : 10.1039/c4cp01360c

G. Pietraperzia, M. Pasquini, F. Mazzoni, G. Piani, M. Becucci et al., Noncovalent Interactions in the Gas Phase: The Anisole???Phenol Complex, The Journal of Physical Chemistry A, vol.115, issue.34, pp.9603-9611, 2011.
DOI : 10.1021/jp200444a

G. A. Pino, I. Alata, C. Dedonder, C. Jouvet, K. Sakota et al., Photon induced isomerization in the first excited state of the 7-azaindole???(H2O)3 cluster, Physical Chemistry Chemical Physics, vol.11, issue.13, pp.6325-6331, 2011.
DOI : 10.1039/c1cp00015b

R. Ahlrichs, M. Bär, M. Häser, H. Horn, and C. Kölmel, Electronic structure calculations on workstation computers: The program system turbomole, Chemical Physics Letters, vol.162, issue.3, pp.165-169, 1989.
DOI : 10.1016/0009-2614(89)85118-8

F. Weigend, M. Häser, H. Patzelt, and R. Ahlrichs, RI-MP2: optimized auxiliary basis sets and demonstration of efficiency, Chemical Physics Letters, vol.294, issue.1-3, pp.143-152, 1998.
DOI : 10.1016/S0009-2614(98)00862-8

O. Christiansen, H. Koch, and P. Jørgensen, The second-order approximate coupled cluster singles and doubles model CC2, Chemical Physics Letters, vol.243, issue.5-6, pp.409-418, 1995.
DOI : 10.1016/0009-2614(95)00841-Q

D. E. Woon and T. H. Jr, Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon, The Journal of Chemical Physics, vol.98, issue.2, pp.1358-1371, 1993.
DOI : 10.1063/1.464303

C. M. Western, PGOPHER, a Program for Simulating Rotational Structure, V 7.0.101, 2013.

J. Chai and M. Head-gordon, Long-range corrected hybrid density functionals with damped atom???atom dispersion corrections, Physical Chemistry Chemical Physics, vol.110, issue.44, pp.6615-6620, 2008.
DOI : 10.1039/b810189b

G. N. Patwari, S. Doraiswamy, and S. Wategaonkar, Electronic relaxation in the S1 state of jet-cooled p-alkoxyanilines, Chemical Physics Letters, vol.305, issue.5-6, pp.381-388, 1999.
DOI : 10.1016/S0009-2614(99)00398-X

R. J. Lipert, S. D. Colson, and A. Sur, Pump-probe photoionization detection of singlet and triplet decay in anisole and p-cresol in a supersonic free jet, The Journal of Physical Chemistry, vol.92, issue.1, pp.183-185, 1988.
DOI : 10.1021/j100312a039

M. C. Capello, M. Broquier, S. Ishiuchi, W. Y. Sohn, M. Fujii et al., -Aminophenol, The Journal of Physical Chemistry A, vol.118, issue.11, pp.2056-2062, 2014.
DOI : 10.1021/jp411457v

URL : https://hal.archives-ouvertes.fr/hal-00212152

K. S. Thanthiriwatte, E. G. Hohenstein, L. A. Burns, and C. D. Sherrill, Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions, Journal of Chemical Theory and Computation, vol.7, issue.1, pp.88-96, 2011.
DOI : 10.1021/ct100469b

A. Das, K. K. Mahato, and T. Chakraborty, Observation of exciplex emission from the mixed dimer of naphthalene and 2-methoxynaphthalene: A laser-induced fluorescence study in supersonic jet, The Journal of Chemical Physics, vol.114, issue.14, pp.6107-6111, 2001.
DOI : 10.1063/1.1355659

P. Mitra, B. Chakraborty, D. Bhattacharyya, and S. Basu, Excimer of 9-Aminoacridine Hydrochloride Hydrate in Confined Medium: An Integrated Experimental and Theoretical Study, The Journal of Physical Chemistry A, vol.117, issue.7, pp.1428-1438, 2013.
DOI : 10.1021/jp3103639

M. Ko?aski, C. R. Arunkumar, and K. S. Kim, and TD-DFT Study, Journal of Chemical Theory and Computation, vol.9, issue.1, pp.847-856, 2013.
DOI : 10.1021/ct300350m