S. Brunauer, P. H. Emmett, and E. Teller, Adsorption of Gases in Multimolecular Layers, Journal of the American Chemical Society, vol.60, issue.2, pp.309-319, 1938.
DOI : 10.1021/ja01269a023

C. Souteyrand, M. Thibert, M. Caude, and R. Rosset, Influence of water in liquid-solid chromatographic systems on retention data, Journal of Chromatography A, vol.262, pp.1-18, 1983.
DOI : 10.1016/S0021-9673(01)88083-3

C. Souteyrand, M. Thibert, M. Caude, R. J. Rosset, and R. A. Gray, Influence of water in liquid???solid chromatographic systems on retention data, Journal of Chromatography A, vol.316, issue.122, pp.373-388, 1976.
DOI : 10.1016/S0021-9673(00)96166-1

S. Ek, A. Root, M. Peussa, and L. Niinistö, Determination of the hydroxyl group content in silica by thermogravimetry and a comparison with 1H MAS NMR results, Thermochimica Acta, vol.379, issue.1-2, pp.201-212, 2001.
DOI : 10.1016/S0040-6031(01)00618-9

J. P. Blitz, R. S. Murthy, D. E. Leyden, X. S. Zhao, and G. Q. Lu, Ammonia-catalyzed silylation reactions of Cab-O-Sil with methoxymethylsilanes, Journal of the American Chemical Society, vol.109, issue.23, pp.7141-7145, 1987.
DOI : 10.1021/ja00257a039

M. A. Ramos, M. H. Gil, E. Schacht, G. Matthys, and W. Mondelaers, Physical and chemical characterisation of some silicas and silica derivatives, Powder Technology, vol.99, issue.1, pp.79-85, 1998.
DOI : 10.1016/S0032-5910(98)00061-8

D. Xu, L. Sun, H. Li, L. Zhang, G. Guo et al., Hydrolysis and silanization of the hydrosilicon surface of freshly prepared porous silicon by an amine catalytic reaction, New Journal of Chemistry, vol.27, issue.2, pp.300-306, 2003.
DOI : 10.1039/b204359a

X. S. Zhao, G. Q. Lu, A. K. Whittaker, G. J. Millar, and H. Y. Zhu, Si CP/MAS NMR, FTIR, Pyridine-TPD, and TGA, The Journal of Physical Chemistry B, vol.101, issue.33, pp.6525-6531, 1997.
DOI : 10.1021/jp971366+

V. Dugas and Y. Chevalier, Surface hydroxylation and silane grafting on fumed and thermal silica, Journal of Colloid and Interface Science, vol.264, issue.2, pp.354-361, 2003.
DOI : 10.1016/S0021-9797(03)00552-6

M. Bjelopavlic, P. K. Singh, H. El-shall, and B. M. Moudgil, Role of Surface Molecular Architecture and Energetics of Hydrogen Bonding Sites in Adsorption of Polymers and Surfactants, Journal of Colloid and Interface Science, vol.226, issue.1, pp.159-165, 2000.
DOI : 10.1006/jcis.2000.6806

F. Garbassi, L. Balducci, P. Chiurlo, and L. Deiana, A study of surface modification of silica using XPS, DRIFT and NMR, Applied Surface Science, vol.84, issue.2, pp.145-151, 1995.
DOI : 10.1016/0169-4332(94)00469-2

A. Ghanbari-siahkali, A. Philippou, J. Dwyer, and M. W. Anderson, The acidity and catalytic activity of heteropoly acid on MCM-41 investigated by MAS NMR, FTIR and catalytic tests, Applied Catalysis A: General, vol.192, issue.1, pp.57-69, 2000.
DOI : 10.1016/S0926-860X(99)00333-6

P. Sutra, F. Fajula, D. Brunel, P. Lentz, G. Daelen et al., 29Si and 13C MAS-NMR characterization of surface modification of micelle-templated silicas during the grafting of organic moieties and end-capping, Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol.158, issue.1-2, pp.21-27, 1999.
DOI : 10.1016/S0927-7757(99)00126-0

W. Kohn and L. Sham, Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, vol.119, issue.4A, pp.1133-1138, 1965.
DOI : 10.1103/PhysRev.119.1153

L. R. Snyder, J. W. Dolan, and P. W. Carr, The hydrophobic-subtraction model of reversed-phase column selectivity, Journal of Chromatography A, vol.1060, issue.1-2, pp.77-116, 2004.
DOI : 10.1016/S0021-9673(04)01480-3

M. H. Abraham, A. Ibrahim, and A. M. Zissimos, Determination of sets of solute descriptors from chromatographic measurements, Journal of Chromatography A, vol.1037, issue.1-2, pp.29-47, 2004.
DOI : 10.1016/j.chroma.2003.12.004

R. W. Taft, J. M. Abboud, M. J. Kamlet, and M. H. Abraham, Linear solvation energy relations, Journal of Solution Chemistry, vol.106, issue.3, pp.153-186, 1985.
DOI : 10.1007/BF00647061

K. Kimata, K. Iwaguchi, S. Onishi, K. Jinno, R. Eksteen et al., Chromatographic Characterization of Silica C18 Packing Materials. Correlation between a Preparation Method and Retention Behavior of Stationary Phase, Journal of Chromatographic Science, vol.27, issue.12, pp.721-728, 1989.
DOI : 10.1093/chromsci/27.12.721

C. Stella, S. Rudaz, J. Veuthey, and A. Tchapla, Silica and other materials as supports in liquid chromatography. Chromatographic tests and their importance for evaluating these supports. Part II, Chromatographia, vol.6, issue.S1, pp.132-140
DOI : 10.1093/chromsci/32.11.488

C. Galea and D. Mangelings, Characterization and classification of stationary phases in HPLC and SFC ??? a review, Analytica Chimica Acta, vol.886, pp.1-15, 2015.
DOI : 10.1016/j.aca.2015.04.009

L. C. Sander and S. A. Wise, Determination of column selectivity toward polycyclic aromatic hydrocarbons, Journal of High Resolution Chromatography, vol.19, issue.5, pp.383-387, 1988.
DOI : 10.1093/chromsci/19.9.457

U. D. Neue, B. A. Alden, and T. H. Walter, Universal procedure for the assessment of the reproducibility and the classification of silica-based reversed-phase packings, Journal of Chromatography A, vol.849, issue.1, pp.101-116, 1999.
DOI : 10.1016/S0021-9673(99)00434-3

U. D. Neue, E. Serowik, P. Iraneta, B. A. Alden, and T. H. Walter, Universal procedure for the assessment of the reproducibility and the classification of silica-based reversed-phase packings, Journal of Chromatography A, vol.849, issue.1, pp.87-100, 1999.
DOI : 10.1016/S0021-9673(99)00435-5

T. B?czek, R. Kaliszan, K. Novotná, and P. Jandera, Comparative characteristics of HPLC columns based on quantitative structure???retention relationships (QSRR) and hydrophobic-subtraction model, Journal of Chromatography A, vol.1075, issue.1-2, pp.109-115, 2005.
DOI : 10.1016/j.chroma.2005.03.117

R. Kaliszan, M. A. Van-straten, M. Markuszewski, C. A. Cramers, and H. A. Claessens, Molecular mechanism of retention in reversed-phase high-performance liquid chromatography and classification of modern stationary phases by using quantitative structure???retention relationships, Journal of Chromatography A, vol.855, issue.2, pp.455-486, 1999.
DOI : 10.1016/S0021-9673(99)00742-6

K. Héberger, C. West, and E. Lesellier, Quantitative structure???(chromatographic) retention relationships, Journal of Chromatography A, vol.1158, issue.1-2, pp.273-305, 2007.
DOI : 10.1016/j.chroma.2007.03.108

F. Z. Oumada, M. Rosés, E. Bosch, and M. H. Abraham, Solute???solvent interactions in normal-phase liquid chromatography: a linear free-energy relationships study, Analytica Chimica Acta, vol.382, issue.3, pp.301-308, 1999.
DOI : 10.1016/S0003-2670(98)00787-9

L. C. Tan, P. W. Carr, and M. H. Abraham, Study of retention in reversed-phase liquid chromatography using linear solvation energy relationships I. The stationary phase, Journal of Chromatography A, vol.752, issue.1-2, pp.1-18, 1996.
DOI : 10.1016/S0021-9673(96)00459-1

J. Li, A. J. Dallas, and P. W. Carr, Empirical scheme for the classification of gas chromatographic stationary phases based on solvatochromic linear solvation energy relationships, Journal of Chromatography A, vol.517, pp.103-121, 1990.
DOI : 10.1016/S0021-9673(01)95714-0

J. H. Park, M. H. Yoon, Y. K. Ryu, B. E. Kim, J. W. Ryu et al., Characterization of some normal-phase liquid chromatographic stationary phases based on linear solvation energy relationships, Journal of Chromatography A, vol.796, issue.2, pp.249-258, 1998.
DOI : 10.1016/S0021-9673(97)01022-4

H. Qiu, X. Liang, M. Sun, S. Jiang, J. J. Kirkland et al., Development of some stationary phases for reversed-phase HPLC Ion-exchange and hydrophobic interactions affecting selectivity for neutral and charged solutes on three structurally similar agglomerated ion-exchange and mixed-mode stationary phases Nuclear magnetic resonance and highperformance liquid chromatographic evaluation of polymer-based stationary phases immobilized on silica Fullerenes separation with monomeric type C30 stationary phase in high-performance liquid chromatography Determination of polycyclic aromatic hydrocarbons by liquid chromatography Anomalous behavior of selected methylsubstituted polycyclic aromatic hydrocarbons in reversed-phase liquid chromatography, Development of silica-based stationary phases for highperformance liquid chromatography, pp.3307-3322, 1016.

C. A. Rimmer, L. C. Sander, S. A. Wise, L. C. Sander, K. E. Sharpless et al., Selectivity of long chain stationary phases in reversed phase liquid chromatography, Analytical and Bioanalytical Chemistry, vol.65, issue.3, pp.698-707, 1994.
DOI : 10.1021/ac990790z

A. Tchapla, S. Héron, E. Lesellier, and H. Colin, General view of molecular interaction mechanisms in reversed-phase liquid chromatography, Journal of Chromatography A, vol.656, issue.1-2, pp.81-112, 1993.
DOI : 10.1016/0021-9673(93)80799-E

N. Tanaka, Y. Tokuda, K. Iwaguchi, and M. Araki, Effect of stationary phase structure on retention and selectivity in reversed-phase liquid chromatography, Journal of Chromatography A, vol.239, issue.00, pp.761-772, 1982.
DOI : 10.1016/S0021-9673(00)82036-1

J. L. Reubsaet and R. Vieskar, Characterisation of ??????? interactions which determine retention of aromatic compounds in reversed-phase liquid chromatography, Journal of Chromatography A, vol.841, issue.2, pp.147-154, 1999.
DOI : 10.1016/S0021-9673(99)00253-8

D. H. Marchand, K. Croes, J. W. Dolan, L. R. Snyder, R. A. Henry et al., Column selectivity in reversed-phase liquid chromatography, Journal of Chromatography A, vol.1062, issue.1, pp.65-78, 2005.
DOI : 10.1016/j.chroma.2004.11.014

J. Horak, N. M. Maier, and W. Lindner, Investigations on the chromatographic behavior of hybrid reversed-phase materials containing electron donor???acceptor systems, Journal of Chromatography A, vol.1045, issue.1-2, pp.43-58, 2004.
DOI : 10.1016/j.chroma.2004.05.096

S. Héron and A. Tchapla, Retention mechanism in reversed-phase liquid chromatography: specific effects of propiophenyl and multifunctional (cyanopropyl-octadecyl) bonded silicas, Journal of Chromatography A, vol.725, issue.2, pp.205-218, 1996.
DOI : 10.1016/0021-9673(95)00990-6

S. Héron and A. Tchapla, Validity of a notion of eluent force taking into account the nature of the graft on silica in aqueous and non-aqueous liquid chromatography, Analusis, vol.8, pp.257-262, 1997.

A. Tchapla, D. Charbonneau, B. Chabot, C. Coulpier, M. De-person et al., Corrélation de Cinq Tests Généraux Représentée par ACP et CAH pour la Caractérisation des Phases Stationnaires de CLHP, LCGC En Francais, pp.25-30, 2008.

K. Kimata, K. Hosoya, H. Kuroki, N. Tanaka, J. R. Barr et al., Selectivity of electron-donor- and electron-acceptor-bonded silica packing materials for hydrophobic environmental contaminants in polar and non-polar eluents, Journal of Chromatography A, vol.786, issue.2, pp.237-248, 1997.
DOI : 10.1016/S0021-9673(97)00597-9

W. Wielandt, A. Ellwanger, K. Albert, and E. Lindner, n-Alkyl fluorenyl phases in chromatography, Journal of Chromatography A, vol.805, issue.1-2, pp.71-83, 1998.
DOI : 10.1016/S0021-9673(98)00014-4

R. Brindle and K. Albert, Stationary phases with chemically bonded fluorene ligands: A new approach for environmental analysis of ??-electron containing solutes, Journal of Chromatography A, vol.757, issue.1-2, pp.3-20, 1997.
DOI : 10.1016/S0021-9673(96)00682-6

M. Verzele and N. V. De-velde, Anthracene silica gel, a new polycyclic-aromatic-bonded stationary phase for HPLC, Chromatographia, vol.5, issue.4, pp.239-241, 1985.
DOI : 10.1002/jhrc.1240051105

N. Tanaka, T. Tanigawa, K. Kimata, K. Hosoya, and T. Arai, Selectivity of carbon packing materials in comparison with octadecylsilyl- and pyrenylethylsilylsilica gels in reversed- phase liquid chromatography, Journal of Chromatography A, vol.549, issue.00, pp.29-41, 1991.
DOI : 10.1016/S0021-9673(00)91416-X

E. Grimvall, A. Colmsjö, K. Wrangskog, C. Östman, and M. Eriksson, Quantitative Structure--Retention Relationships for Polychlorinated Biphenyls and Chlorobenzenes on Selected Normal-Phase Liquid Chromatographic Stationary Phases, Journal of Chromatographic Science, vol.35, issue.2, pp.63-70, 1997.
DOI : 10.1093/chromsci/35.2.63
URL : https://academic.oup.com/chromsci/article-pdf/35/2/63/1477157/35-2-63.pdf

J. W. Grate, M. H. Abraham, C. M. Du, R. A. Mcgill, and W. J. Shuely, Examination of Vapor Sorption by Fullerene, Fullerene-Coated Surface Acoustic Wave Sensors, Graphite, and Low-Polarity Polymers Using Linear Solvation Energy Relationships, Langmuir, vol.11, issue.6, pp.11-2125, 1995.
DOI : 10.1021/la00006a046

W. Nowik, M. Bonose-crosnier-de-bellaistre, A. Tchapla, and S. Héron, Separation of 9,10-anthraquinone derivatives: Evaluation of functionalised stationary phases in reversed phase mode, Journal of Chromatography A, vol.1218, issue.23, pp.1218-3636, 2011.
DOI : 10.1016/j.chroma.2011.04.012

M. Zhang, J. Chen, A. K. Mallik, H. Qiu, S. Jiang et al., Preparation and chromatographic evaluation of new branch-type diamide-embedded octadecyl stationary phase with enhanced shape selectivity, Analytica Chimica Acta, vol.833, pp.48-55, 2014.
DOI : 10.1016/j.aca.2014.05.011

Y. Li, L. Xu, T. Chen, X. Liu, Z. Xu et al., Carbon nanoparticles from corn stalk soot and its novel application as stationary phase of hydrophilic interaction chromatography and per aqueous liquid chromatography, Analytica Chimica Acta, vol.726, pp.102-108, 2012.
DOI : 10.1016/j.aca.2012.03.032

N. S. Wilson, J. Gilroy, J. W. Dolan, and L. R. Snyder, Column selectivity in reversed-phase liquid chromatography, Journal of Chromatography A, vol.1026, issue.1-2, pp.91-100, 2004.
DOI : 10.1016/j.chroma.2003.11.041

X. Liu, A. V. Bordunov, and C. A. , Preparation and evaluation of a hydrolytically stable amide-embedded stationary phase, Journal of Chromatography A, vol.1119, issue.1-2, pp.1119-128, 2006.
DOI : 10.1016/j.chroma.2005.11.086

M. M. Rahman, M. Takafuji, H. R. Ansarian, and H. Ihara, Molecular Shape Selectivity through Multiple Carbonyl????? Interactions with Noncrystalline Solid Phase for RP-HPLC, Analytical Chemistry, vol.77, issue.20, pp.6671-6681, 2005.
DOI : 10.1021/ac050851v

J. O. Omamogho, E. M. Stack, A. Santalad, S. Srijaranai, J. D. Glennon et al., Retention and selectivity properties of carbamate pesticides on novel polar-embedded stationary phases, Analytical and Bioanalytical Chemistry, vol.112, issue.6, pp.2513-2524, 2010.
DOI : 10.1016/j.chroma.2004.10.057

C. R. Silva, I. C. Jardim, and C. Airoldi, New generation of sterically protected C 18 stationary phases containing embedded urea groups for use in high-performance liquid chromatography, J. Chromatogr. A, pp.987-127, 2003.

M. Zhang, X. Liang, S. Jiang, and H. Qiu, Preparation and applications of surface-confined ionicliquid stationary phases for liquid chromatography, TrAC Trends Anal. Chem, vol.53, 2014.

C. Stella, S. Rudaz, J. Veuthey, and A. Tchapla, Silica and other materials as supports in liquid chromatography. Chromatographic tests and their importance for evaluating these supports, 2490319.

J. E. O-'gara, B. A. Alden, T. H. Walter, J. S. Petersen, C. L. Niederlaender et al., Simple preparation of a C8 HPLC stationary phase with an internal polar functional group, Anal. Chem, pp.67-3809, 1995.

U. D. Neue, J. E. Gara, and A. Méndez, Selectivity in reversed-phase separations, Journal of Chromatography A, vol.1127, issue.1-2, 2006.
DOI : 10.1016/j.chroma.2006.06.006

H. Engelhardt, R. Grüner, and M. Scherer, The polar selectivities of non-polar reversed phases, Chromatographia, vol.339, issue.3/4, pp.154-161, 2001.
DOI : 10.1093/chromsci/27.12.721

R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules, 1989.
DOI : 10.1007/978-94-009-9027-2_2

S. Ma, H. Tsui, E. Spinelli, C. A. Busacca, E. I. Franses et al., Insights into chromatographic enantiomeric separation of allenes on cellulose carbamate stationary phase, Journal of Chromatography A, vol.1362, pp.1362-119, 2014.
DOI : 10.1016/j.chroma.2014.08.032

H. Tsui, E. I. Franses, and N. L. Wang, Effect of alcohol aggregation on the retention factors of chiral solutes with an amylose-based sorbent: Modeling and implications for the adsorption mechanism, Journal of Chromatography A, vol.1328, pp.52-65, 2014.
DOI : 10.1016/j.chroma.2013.12.078

P. Peluso, V. Mamane, E. Aubert, and S. Cossu, Insights into the impact of shape and electronic properties on the enantioseparation of polyhalogenated 4,4???-bipyridines on polysaccharide-type selectors. Evidence of stereoselective halogen bonding interactions, Journal of Chromatography A, vol.1345, pp.1345-182, 2014.
DOI : 10.1016/j.chroma.2014.04.040
URL : https://hal.archives-ouvertes.fr/hal-01494409

P. Peluso, V. Mamane, E. Aubert, and S. Cossu, High-performance liquid chromatography enantioseparation of atropisomeric 4,4???-bipyridines on polysaccharide-type chiral stationary phases: Impact of substituents and electronic properties, Journal of Chromatography A, vol.1251, pp.1251-91, 2012.
DOI : 10.1016/j.chroma.2012.06.035

M. Szaleniec, A. Dudzik, M. Pawul, and B. Kozik, Quantitative structure enantioselective retention relationship for high-performance liquid chromatography chiral separation of 1-phenylethanol derivatives, Journal of Chromatography A, vol.1216, issue.34, 2009.
DOI : 10.1016/j.chroma.2009.07.002

Y. Yamada, K. Ohyama, G. Onodera, M. Kuriyama, N. Kishikawa et al., Molecular-shape selectivity by naphthalimido-modified silica stationary phases: Insight into the substituents effect of naphthalene on shape recognition and ??????? interactions via electrostatic potential, Journal of Chromatography A, vol.1425, pp.1425-173, 2015.
DOI : 10.1016/j.chroma.2015.11.030

M. Mignot, A. Tchapla, O. Mercier, N. Couvrat, S. Tisse et al., High-Density Octadecyl Chemically Bonded Core???Shell Silica Phases for HPLC: Comparison of Microwave-Assisted and Classical Synthetic Routes, Structural Characterization and Chromatographic Evaluation, Chromatographia, vol.114, issue.23-24, pp.1577-1588, 2014.
DOI : 10.1021/ja00042a018

M. Mignot, M. Sebban, A. Tchapla, O. Mercier, P. Cardinael et al., Thermal pretreatments of superficially porous silica particles for high-performance liquid chromatography: Surface control, structural characterization and chromatographic evaluation, Journal of Chromatography A, vol.1419, pp.45-57, 2015.
DOI : 10.1016/j.chroma.2015.09.072

G. E. Berendsen and L. De-galan, Role of the chain length of chemically bonded phases and the retention mechanism in reversed-phase liquid chromatography, Journal of Chromatography A, vol.196, issue.1, pp.21-37, 1980.
DOI : 10.1016/S0021-9673(00)80356-8

J. Horak and W. Lindner, Investigations on the chromatographic behavior of hybrid reversed-phase materials containing electron donor?acceptor systems: I. Contribution of sulfur?aromatic interactions, J. Chromatogr. A, vol.1043, 2004.

M. R. Euerby, P. Petersson, W. Campbell, and W. Roe, Chromatographic classification and comparison of commercially available reversed-phase liquid chromatographic columns containing phenyl moieties using principal component analysis, Journal of Chromatography A, vol.1154, issue.1-2, pp.138-151, 2007.
DOI : 10.1016/j.chroma.2007.03.119

K. Jinno, C. Okumura, M. Taniguchi, and Y. Chen, Molecular shape recognition of polycyclic aromatic hydrocarbons with various alkyl diphenyl bonded phases in microcolumn liquid chromatography, Chromatographia, vol.49, issue.10, pp.613-618, 1997.
DOI : 10.1093/chromsci/19.9.457

K. Croes, A. Steffens, D. H. Marchand, and L. R. Snyder, Relevance of ??????? and dipole???dipole interactions for retention on cyano and phenyl columns in reversed-phase liquid chromatography, Journal of Chromatography A, vol.1098, issue.1-2, 2005.
DOI : 10.1016/j.chroma.2005.08.090

P. G. Stevenson, S. Kayillo, G. R. Dennis, and R. A. Shalliker, Effects of ??????? Interactions on the Separation of PAHs on Phenyl???Type Stationary Phases, Journal of Liquid Chromatography & Related Technologies, vol.31, issue.3, pp.31-324, 1080.
DOI : 10.1021/ac9900477

K. Jinno, K. Yamamoto, H. Nagashima, T. Ueda, and K. Itoh, Silicas chemically bonded with multidentate phenyl groups as stationary phases in reversed-phase liquid chromatography used for non-planarity recognition of polycyclic aromatic hydrocarbons, Journal of Chromatography A, vol.517, issue.01, pp.193-207, 1990.
DOI : 10.1016/S0021-9673(01)95721-8

M. A. Blanco, A. Martín-pendás, and E. Francisco, Interacting Quantum Atoms:?? A Correlated Energy Decomposition Scheme Based on the Quantum Theory of Atoms in Molecules, Journal of Chemical Theory and Computation, vol.1, issue.6, pp.1096-1109, 2005.
DOI : 10.1021/ct0501093

E. Francisco, A. Martín-pendás, and M. A. Blanco, A Molecular Energy Decomposition Scheme for Atoms in Molecules, Journal of Chemical Theory and Computation, vol.2, issue.1, pp.90-102, 2006.
DOI : 10.1021/ct0502209

V. Tognetti and L. Joubert, Density functional theory and Bader's atoms-in-molecules theory: towards a vivid dialogue, Physical Chemistry Chemical Physics, vol.99, issue.28, pp.14539-14550, 2014.
DOI : 10.1021/j100024a016

O. A. Syzgantseva, V. Tognetti, and L. Joubert, On the Physical Nature of Halogen Bonds: A QTAIM Study, The Journal of Physical Chemistry A, vol.117, issue.36, pp.8969-8980, 2013.
DOI : 10.1021/jp4059774
URL : https://hal.archives-ouvertes.fr/hal-00996432

V. Tognetti and L. Joubert, Following Halogen Bonds Formation with Bader???s Atoms-in-Molecules Theory, Appl. Topol. Methods Mol. Chem, vol.201610, pp.435-459978, 1007.
DOI : 10.1007/978-3-319-29022-5_16

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

R. A. Distasio-jr, G. Von-helden, R. P. Steele, and M. Head-gordon, On the T-shaped structures of the benzene dimer, Chemical Physics Letters, vol.437, issue.4-6, 2007.
DOI : 10.1016/j.cplett.2007.02.034

E. R. Johnson, S. Keinan, P. Mori-sánchez, J. Contreras-garcía, A. J. Cohen et al., Revealing Noncovalent Interactions, Journal of the American Chemical Society, vol.132, issue.18, pp.6498-6506, 2010.
DOI : 10.1021/ja100936w
URL : https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2864795/pdf

J. Contreras-garcía, E. R. Johnson, S. Keinan, R. Chaudret, J. Piquemal et al., NCIPLOT: A Program for Plotting Noncovalent Interaction Regions High-Density Octadecyl Chemically Bonded Core?Shell Silica Phases for HPLC: Comparison of Microwave-Assisted and Classical Synthetic Routes, Structural Characterization and Chromatographic Evaluation Comparative studies of chromatographic properties of silica-based amide-bonded phases under hydro?organic conditions The Characterisation of Chemically Bonded Chromatographic Stationary Phases by Thermogravimetry New stationary phase for anion-exchange chromatography, General method for characterization of the lignand ration on mixed bonded stationary phases by DR/FT-IR spectrometry, pp.625-632, 1992.

B. Pfleiderer, K. Albert, E. Bayer, M. Pursch, L. C. Sander et al., spinning NMR spectroscopy of reaction pathways of silica gel polyfunctional modification Chain Order and Mobility of High-Density C18 Phases by Solid-State NMR Spectroscopy and Liquid Chromatography Preparation of a new C18 stationary phase containing embedded urea groups for use in high-performance liquid chromatography, J. Chromatogr. A. Anal. Chem. J. Chromatogr. A. J. Chromatogr. A, vol.68, issue.94801, pp.506-343, 1016.

R. B. Kasat, C. Y. Chin, K. T. Thomson, E. I. Franses, and N. L. Wang, Interpretation of chromatographic retentions of simple solutes with an amylose-based sorbent using infrared spectroscopy and DFT modeling, Adsorption, vol.77, issue.2, pp.405-416, 2006.
DOI : 10.1093/chromsci/22.9.411

R. B. Kasat, N. L. Wang, and E. I. Franses, Experimental probing and modeling of key sorbent???solute interactions of norephedrine enantiomers with polysaccharide-based chiral stationary phases, Journal of Chromatography A, vol.1190, issue.1-2, pp.110-119, 2008.
DOI : 10.1016/j.chroma.2008.02.116

M. L. Reyes-reyes, G. Roa-morales, R. Melgar-fernández, H. Reyes-pérez, L. M. Gómez-oliván et al., Chiral recognition of abacavir enantiomers by (2-hydroxy)propyl-??-cyclodextrin: UHPLC, NMR and DFT studies, Journal of Inclusion Phenomena and Macrocyclic Chemistry, vol.25, issue.3-4, pp.373-382, 2015.
DOI : 10.1007/s11095-007-9506-y

S. Bocian, A. Nowaczyk, and B. Buszewski, Synthesis and characterization of ester-bonded stationary phases for liquid chromatography, Talanta, vol.131, pp.684-692, 2015.
DOI : 10.1016/j.talanta.2014.07.069

J. Tomasi, B. Mennucci, and R. Cammi, Quantum Mechanical Continuum Solvation Models, Chemical Reviews, vol.105, issue.8, pp.2999-3094, 2005.
DOI : 10.1021/cr9904009

P. ?afá?, J. ?ú?iová, ?. Marchalín, N. Prónayová, ?. ?vorc et al., Combined Chemical, Biological and Theoretical DFT-QTAIM Study of Potent Glycosidase Inhibitors Based on Quaternary Indolizinium Salts, European Journal of Organic Chemistry, vol.281, issue.28, pp.2012-5498, 2012.
DOI : 10.1074/jbc.M602878200

W. Zhao, K. Hu, C. Wang, S. Liang, B. Niu et al., New oxo-bridged calix[2]arene[2]triazine stationary phase for high performance liquid chromatography, Journal of Chromatography A, vol.1223, pp.72-78, 2012.
DOI : 10.1016/j.chroma.2011.12.031

A. Yu, D. Peng, K. Hu, A. Cao, J. Chang et al., A new 4-ferrocenylbenzoyl chloride-bonded stationary phase for high performance liquid chromatography, Journal of Chromatography A, vol.1283, pp.75-81, 2013.
DOI : 10.1016/j.chroma.2013.01.090

C. Ding, K. Qu, Y. Li, K. Hu, H. Liu et al., Preparation and characterization of six calixarene bonded stationary phases for high performance liquid chromatography, Journal of Chromatography A, vol.1170, issue.1-2, pp.73-81, 2007.
DOI : 10.1016/j.chroma.2007.09.036

I. Y. Zhang, J. Wu, and X. Xu, Extending the reliability and applicability of B3LYP, Chemical Communications, vol.110, issue.18, pp.3057-3070, 2010.
DOI : 10.1103/PhysRevB.66.081108

S. Grimme, A. Hansen, J. G. Brandenburg, and C. Bannwarth, Dispersion-Corrected Mean-Field Electronic Structure Methods, Chemical Reviews, vol.116, issue.9, pp.5105-5154, 2016.
DOI : 10.1021/acs.chemrev.5b00533
URL : http://doi.org/10.1021/acs.chemrev.5b00533

F. Guégan, P. Mignon, V. Tognetti, L. Joubert, and C. , Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands, Phys. Chem. Chem. Phys., vol.118, issue.29, pp.15558-15569, 2014.
DOI : 10.1021/jp410407u

J. S. Murray, P. Lane, and P. Politzer, Expansion of the ??-hole concept, Journal of Molecular Modeling, vol.27, issue.6, pp.723-729, 2008.
DOI : 10.1007/s00894-008-0386-9

V. Tognetti and L. Joubert, Electron density Laplacian and halogen bonds, Theoretical Chemistry Accounts, vol.16, issue.7, pp.1-10, 2015.
DOI : 10.1039/C4CP01613K

S. Grimme, Semiempirical GGA-type density functional constructed with a long-range dispersion correction, Journal of Computational Chemistry, vol.10, issue.15, 2006.
DOI : 10.1007/s002140050244

V. Barone and M. Cossi, Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model, The Journal of Physical Chemistry A, vol.102, issue.11, pp.10-1021, 1995.
DOI : 10.1021/jp9716997

P. Chen, B. A. Dougan, X. Zhang, Y. Wu, and Z. Xue, Reactions of a tungsten alkylidyne complex with mono-dentate phosphines: Thermodynamic and theoretical studies, Polyhedron, vol.58, pp.30-38, 2013.
DOI : 10.1016/j.poly.2012.07.042

L. Jouanno, V. Tognetti, L. Joubert, C. Sabot, and P. Renard, Thermally Controlled Decarboxylative [4 + 2] Cycloaddition between Alkoxyoxazoles and Acrylic Acid: Expedient Access to 3-Hydroxypyridines, Organic Letters, vol.15, issue.10, pp.2530-2533, 2013.
DOI : 10.1021/ol4010195
URL : https://hal.archives-ouvertes.fr/hal-00996416

L. Jouanno, V. Di-mascio, V. Tognetti, L. Joubert, C. Sabot et al., -Fused Bicyclic Hydroxypiperidine Scaffolds, The Journal of Organic Chemistry, vol.79, issue.3, pp.1303-131910, 1021.
DOI : 10.1021/jo402729a

C. M. Breneman and K. B. Wiberg, Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis, Journal of Computational Chemistry, vol.109, issue.3, pp.361-373, 1990.
DOI : 10.1002/jcc.540110311

V. Tognetti and L. Joubert, Unraveling charge transfer processes with the quantum theory of atomsin-molecules, Theor. Chem. Acc, vol.135, pp.1-13, 2016.

C. D. Gutsche, B. Dhawan, K. H. No, and R. Muthukrishnan, Calixarenes. 4. The synthesis, characterization, and properties of the calixarenes from p-tert-butylphenol, Journal of the American Chemical Society, vol.103, issue.13, pp.3782-3792, 1981.
DOI : 10.1021/ja00403a028

J. D. Glennon, K. O?connor, S. Srijaranai, K. Manley, S. J. Harris et al., Ions on a Calixarene-Bonded Silica Phase, Analytical Letters, vol.26, issue.1, pp.153-162, 1993.
DOI : 10.1039/p19900000431

S. Gebauer, S. Friebe, G. Gübitz, G. J. Krauss, . Chromatogr et al., High Performance Liquid Chromatography on Calixarene-Bonded Silica Gels. II. Separations of Regio-and Stereoisomers on p-tert-Butylcalix[n]arene Phases, Journal of Chromatographic Science, vol.36, issue.8, pp.383-387, 1998.
DOI : 10.1093/chromsci/36.8.383

L. Li, S. Da, Y. Feng, and M. Liu, Preparation and characterization of a p-tert-butyl-calix[6]-1,4-benzocrown-4-bonded silica gel stationary phase for liquid chromatography, Journal of Chromatography A, vol.1040, issue.1, pp.53-61, 2004.
DOI : 10.1016/j.chroma.2004.03.067

Q. Y. Huai, Y. M. Zuo, and P. W. Carr, Study of the Retention Characteristics of Calix[4]arene???bonded Silica Stationary Phase and Comparison with Common Phases for HPLC Using Linear Solvation Energy Relationships, Journal of Liquid Chromatography & Related Technologies, vol.34, issue.6, pp.801-814, 2006.
DOI : 10.1016/S0021-9673(00)95857-6