P. Debye and . Zerstreuung-von-röntgenstrahlen, Ann. Phys, vol.1915, pp.809-823

N. I. Bohr, On the constitution of atoms and molecules, Lond. Edinb. Dublin Philos. Mag. J. Sci, vol.26, pp.1-25, 1913.

D. Hartree, The atomic structure factor in the intensity of reflexion of X-rays by crystals, Lond. Edinb. Dublin Philos. Mag. J. Sci, vol.50, pp.289-306, 1925.

W. L. Bragg, R. James, and C. Bosanquet, The distribution of electrons around the nucleus in the sodium and chlorine atoms, Lond. Edinb. Dublin Philos. Mag. J. Sci, vol.44, pp.433-449, 1922.

I. Waller and D. R. Hartree, On the Intensity of Total Scattering of X-Rays, Proc. Royal. Soc. Lond. Ser. A, vol.124, pp.119-142, 1929.

R. J. Weiss and J. J. De-marco, X-ray determination of the number of 3d electrons in Cu, Ni, Co, Fe, and Cr, Rev. Mod. Phys, vol.30, pp.59-62, 1958.

R. J. Weiss and W. C. Phillips, X-Ray Determination of the Electron Momentum Density in Diamond, Graphite, and Carbon Black, Phys. Rev, vol.176, pp.900-904, 1968.

R. J. Weiss, Spin Density in Cobalt, Phys. Rev. Lett, vol.11, pp.264-265, 1963.

R. J. Weiss, V. Azároffl, and . X-ray, Determination of Electron Distributions, Phys. Today, vol.20, p.103, 1967.

L. Massa, L. Huang, and J. Karle, Quantum crystallography and the use of kernel projector matrices, Int. J. Quantum Chem, vol.56, pp.371-384, 1995.

L. Huang, L. Massa, and J. Karle, Quantum crystallography applied to crystalline maleic anhydride, Int. J. Quantum Chem, vol.73, pp.439-450, 1999.

B. Dawson, A general structure factor formalism for interpreting accurate X-ray and neutron diffraction data, Proc. R. Soc. Lond. Ser. A Math. Phys. Sci, vol.298, pp.255-263, 1967.

R. F. Stewart, Generalized X-Ray Scattering Factors, J. Chem. Phys, vol.51, pp.4569-4577, 1969.

R. F. Stewart, Electron population analysis with generalized X-ray-scattering factors-Higher multipoles, J. Chem. Phys, vol.58, pp.1668-1676, 1973.

R. F. Stewart, Electron population analysis with rigid pseudoatoms, Acta Crystallogr. Sect. A: Cryst. Phys. Diffr. Theor. Gen. Crystallogr, vol.32, pp.565-574, 1976.

N. K. Hansen and P. Coppens, Testing aspherical atom refinements on small-molecule data sets, Acta Crystallogr. Sect. A Cryst. Phys. Diffr. Theor. Gen. Crystallogr, vol.34, pp.909-921, 1978.

F. L. Hirshfeld, Space partitioning of the charge density, Isr. J. Chem, vol.16, pp.198-201, 1977.

P. Bultinck, C. Van-alseneoy, P. W. Ayers, and R. J. Carbó-dorca, Critical analysis and extension of the Hirshfeld atoms in molecules, Chem. Phys, vol.26, p.144111, 2007.

M. A. Spackman and D. Jayatilaka, Hirshfeld surface analysis, CrystEngComm, vol.11, pp.19-32, 2009.

D. Jayatilaka and B. Dittrich, X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations, Acta Cryst, vol.64, pp.383-393, 2008.

P. Coppens, T. V. Willoughby, and L. N. Csonka, Electron Population Analysis of Accurate Diffraction Data. I. Formalisms and Restrictions, Acta Cryst, vol.27, pp.248-256, 1971.

W. L. Clinton, J. Nakhleh, and F. Wunderlich, Direct Determination of Pure-State Density Matrices. I. Some Simple Introductory Calculations, Phys. Rev, vol.177, issue.1?6, 1969.

W. L. Clinton, A. J. Galli, and L. J. Massa, Direct Determination of Pure-State Density Matrices. II. Construction of Constrained Idempotent One-Body Densities, Phys. Rev, vol.177, pp.7-13, 1969.

W. L. Clinton, G. A. Henderson, and J. V. Prestia, Direct Determination of Pure-State Density Matrices. III. Purely Theoretical Densities via an Electrostatic-Virial Theorem, Phys. Rev, vol.177, pp.13-18, 1969.

W. L. Clinton and G. B. Lamers, Direct Determination of Pure-State Density Matrices. IV. Investigation of Another Constraint and Another Application of the P Equations, Phys. Rev, vol.177, pp.19-27, 1969.

W. L. Clinton, A. J. Galli, G. A. Henderson, G. B. Lamers, L. J. Massa et al., Direct Determination of Pure-State Density Matrices. V. Constrained Eigenvalue Problems, Phys. Rev, vol.177, pp.27-33, 1969.

W. L. Clinton and L. J. Massa, The cusp condition: Constraint on the electron density matrix, Int. J. Quantum Chem, vol.6, pp.519-523, 1972.

W. L. Clinton and L. J. Massa, Determination of the Electron Density Matrix from X-Ray Diffraction Data, Phys. Rev. Lett, vol.29, pp.1363-1366, 1972.

W. L. Clinton, C. A. Frishberg, L. J. Massa, and P. A. Oldfield, Methods for obtaining an electron-density matrix from X-ray diffraction data, Int. J. Quantum Chem, vol.7, pp.505-514, 2009.

C. Frishberg and L. J. Massa, Idempotent density matrices for correlated systems from x-ray-diffraction structure factors, Phys. Rev. B, vol.24, pp.7018-7024, 1981.

L. H. Nosanow, Theory of Quantum Crystals, Phys. Rev, vol.146, pp.120-133, 1966.

S. C. Capelli, H. Bürgi, B. Dittrich, S. Grabowsky, and D. Jayatilaka, Hirshfeld atom refinement, IUCrJ, vol.1, pp.361-379, 2014.

M. Woi?ska, D. Jayatilaka, M. A. Spackman, A. Edwards, P. M. Dominiak et al., Hirshfeld atom refinement for modelling strong hydrogen bonds, Acta Crystallogr. Sect. A, vol.70, pp.483-498, 2014.

M. Woi?ska, S. Grabowsky, P. M. Dominiak, K. Wo?niak, and D. Jayatilaka, Hydrogen atoms can be located accurately and precisely by x-ray crystallography, Sci. Adv, 2016.

M. Fugel, D. Jayatilaka, E. Hupf, J. Overgaard, V. R. Hathwar et al., Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2, IUCrJ, vol.5, pp.32-44, 2018.

E. K. Wieduwilt, G. Macetti, L. A. Malaspina, D. Jayatilaka, S. Grabowsky et al., Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal, J. Mol. Struct, p.127934, 1209.
URL : https://hal.archives-ouvertes.fr/hal-02488688

D. E. Hibbs, J. P. Huke, and M. P. Waller, A new orbital-based model for the analysis of experimental molecular charge densities: An application to (Z)-N-methyl-C-phenylnitrone, Phys. Chem. Chem. Phys, vol.7, pp.1772-1778, 2005.

M. P. Waller, S. T. Howard, J. A. Platts, R. O. Piltz, D. J. Willock et al., Novel Properties form Experimental Charge Densities: An Application to the Zwitterionic Neurotransmitter Taurine, Chem. Eur. J, vol.12, pp.7603-7614, 2006.

K. Tanaka, X-ray analysis of wavefunctions by the least-squares method incorporating orthonormality. I. General formalism, Acta Crystallogr. Sect. A, vol.44, pp.1002-1008, 1988.

K. Tanaka, X-ray molecular orbital analysis. I. Quantum mechanical and crystallographic framework, Acta Crystallogr. Sect. A, vol.74, pp.345-356, 2018.

D. Jayatilaka, Wave Function for Beryllium from X-Ray Diffraction Data, Phys. Rev. Lett, vol.80, pp.798-801, 1998.

D. Jayatilaka and D. J. Grimwood, Wavefunctions Derived from Experiment. I. Motivation and Theory, Acta Crystallogr. Sect. A, vol.57, pp.76-86, 2001.

T. L. Gilbert, Hohenberg-Kohn theorem for nonlocal external potentials, Phys. Rev. B, vol.12, pp.2111-2120, 1975.

A. J. Coleman, Structure of Fermion Density Matrices, Rev. Mod. Phys, vol.35, pp.668-686, 1963.

G. A. Henderson, One-electron properties as variational parameters, J. Chem. Phys, vol.65, pp.619-622, 1976.

D. Grimwood and D. Jayatilaka, Wavefunctions derived from experiment. II. A wavefunction for oxalic acid dihydrate, Acta Crystallogr. Sect. A, vol.57, pp.87-100, 2001.

I. Bytheway, D. Grimwood, and D. Jayatilaka, Wavefunctions derived from experiment. III. Topological analysis of crystal fragments, Acta Crystallogr. Sect. A, vol.58, pp.232-243, 2002.

I. Bytheway, D. Grimwood, B. N. Figgis, G. S. Chandler, and D. Jayatilaka, Wavefunctions derived from experiment. IV. Investigation of the crystal environment of ammonia, Acta Crystallogr. Sect. A, vol.58, pp.244-251, 2002.

D. Grimwood, I. Bytheway, and D. Jayatilaka, Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals, J. Comput. Chem, vol.24, pp.470-483, 2003.

D. Jayatilaka, Using Wave functions to Get More Information out of Diffraction Experiments, Modern Charge-Density Analysis

C. Gatti and P. Macchi, , pp.213-257, 2012.

A. E. Whitten, D. Jayatilaka, and M. A. Spackman, Effective molecular polarizabilities and crystal refractive indices estimated from x-ray diffraction data, J. Chem. Phys, vol.125, p.174505, 2006.

D. Jayatilaka, P. Munshi, M. J. Turner, J. A. Howard, and M. A. Spackman, Refractive indices for molecular crystals from the response of X-ray constrained Hartree-Fock wavefunctions, Phys. Chem. Chem. Phys, vol.11, pp.7209-7218, 2009.

D. D. Hickstein, J. M. Cole, M. J. Turner, and D. Jayatilaka, Modeling electron density distributions from X-ray diffraction to derive optical properties: Constrained wavefunction versus multipole refinement, J. Chem. Phys, vol.139, p.64108, 2013.

J. M. Cole and D. D. Hickstein, Molecular origins of nonlinear optical activity in zinc tris(thiourea)sulfate revealed by high-resolution x-ray diffraction data and ab initio calculations, Phys. Rev. B, vol.88, p.184105, 2013.

M. Ernst, A. Genoni, and P. Macchi, Analysis of crystal field effects and interactions using X-ray restrained ELMOs, J. Mol. Struct, p.127975, 1209.
URL : https://hal.archives-ouvertes.fr/hal-02495246

A. Genoni, L. H. Santos, B. Meyer, and P. Macchi, Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation? IUCrJ, vol.4, pp.136-146, 2017.

D. Jayatilaka and D. Grimwood, Electron localization functions obtained from X-ray constrained Hartree-Fock wavefunctions for molecular crystals of ammonia, urea and alloxan, Acta Crystallogr. Sect. A, vol.60, pp.111-119, 2004.

S. Grabowsky, D. Jayatilaka, S. Mebs, and P. Luger, The Electron Localizability Indicator from X-Ray Diffraction Data -A First Application to a Series of Epoxide Derivatives, Chem. Eur. J, vol.16, pp.12818-12821, 2010.

S. Grabowsky, M. Weber, D. Jayatilaka, Y. Chen, M. T. Grabowski et al., Reactivity Differences between ?,?-Unsaturated Carbonyls and Hydrazones Investigated by Experimental and Theoretical Electron Density and Electron Localizability Analyses, J. Phys. Chem. A, vol.115, pp.12715-12732, 2011.

S. Grabowsky, P. Luger, J. Buschmann, T. Schneider, T. Schirmeister et al., The Significance of Ionic Bonding in Sulfur Dioxide: Bond Orders from X-ray Diffraction Data, Angew. Chem. Int. Ed, vol.51, pp.6776-6779, 2012.

M. Fugel, L. A. Malaspina, R. Pal, S. P. Thomas, M. W. Shi et al., Revisiting a historical concept by using quantum crystallography: Are phosphate, sulfate and perchlorate anions hypervalent?, Chem. Eur. J, vol.25, pp.6523-6532, 2019.

S. P. Thomas, D. Jayatilaka, and T. N. Row, S···O chalcogen bonding in sulfa drugs: Insights from multipole charge density and X-ray wavefunction of acetazolamide, Phys. Chem. Chem. Phys, vol.17, pp.25411-25420, 2015.

M. Hudák, D. Jayatilaka, L. Pera?ínová, S. Biskupi?, J. Ko?í?ek et al., X-ray constrained unrestricted Hartree-Fock and Douglas-Kroll-Hess wavefunctions, Acta Crystallogr. Sect. A, vol.66, pp.78-92, 2009.

L. Bucinsky, S. Biskupi?, and D. Jayatilaka, Study of the picture change error at the 2nd order Douglas Kroll Hess level of theory. Electron and spin density and structure factors of the Bis[bis(methoxycarbimido) aminato] copper (II) complex, Chem. Phys, vol.395, pp.44-53, 2012.

L. Bucinsky, D. Jayatilaka, and S. Grabowsky, Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth, J. Phys. Chem. A, vol.120, pp.6650-6669, 2016.

L. Bu?inský, D. Jayatilaka, and S. Grabowsky, Relativistic Quantum Crystallography of Diphenyl and Dicyano Mercury. Theoretical Structure Factors and Hirshfeld Atom Refinement, Acta Crystallogr. Sect. A, vol.75, pp.705-717, 2019.

H. Stoll, G. Wagenblast, and H. Preu, On the use of local basis sets for localized molecular orbitals, Theor. Chem. Accounts, vol.57, pp.169-178, 1980.

A. Fornili, M. Sironi, and M. Raimondi, Determination of extremely localized molecular orbitals and their application to quantum mechanics/molecular mechanics methods and to the study of intramolecular hydrogen bonding, J. Mol. Struct. THEOCHEM, vol.632, pp.157-172, 2003.

A. Genoni and M. Sironi, A novel approach to relax extremely localized molecular orbitals: the extremely localized molecular orbital valence bond method, Theor. Chem. Acc, vol.112, pp.254-262, 2004.
URL : https://hal.archives-ouvertes.fr/hal-02196446

A. Genoni, A. Fornili, and M. Sironi, Optimal Virtual Orbitals to Relax Wavefunctions Built Up with Transferred Extremely Localized Molecular Orbitals, J. Comput. Chem, vol.26, pp.827-835, 2005.

A. Genoni, M. Ghitti, S. Pieraccini, and M. Sironi, A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation, Chem. Phys. Lett, vol.415, pp.256-260, 2005.
URL : https://hal.archives-ouvertes.fr/hal-02196451

M. Sironi, A. Genoni, M. Civera, S. Pieraccini, and M. Ghitti, Extremely localized molecular orbitals: theory and applications, Theor. Chem. Acc, vol.117, pp.685-698, 2007.
URL : https://hal.archives-ouvertes.fr/hal-02196453

M. Sironi, M. Ghitti, A. Genoni, G. Saladino, S. Pieraccini et al., A new program to determine electron densities of polypeptides using extremely localized molecular orbitals, J. Mol. Struct. THEOCHEM, vol.898, pp.8-16, 2009.
URL : https://hal.archives-ouvertes.fr/hal-02196456

A. Genoni, Molecular Orbitals Strictly Localized on Small Molecular Fragments from X-ray Diffraction Data, J. Phys. Chem. Lett, vol.4, pp.1093-1099, 2013.
URL : https://hal.archives-ouvertes.fr/hal-02196463

A. Genoni and . X-ray, Constrained Extremely Localized Molecular Orbitals: Theory and Critical Assessment of the New Technique, J. Chem. Theory Comput, vol.9, pp.3004-3019, 2013.
URL : https://hal.archives-ouvertes.fr/hal-02196464

D. Santos, L. H. Genoni, A. Macchi, and P. , Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density, Acta Crystallogr. Sect. A, vol.70, pp.532-551, 2014.
URL : https://hal.archives-ouvertes.fr/hal-02196465

A. Genoni, B. Meyer, and . X-ray, Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization, Adv. Quantum Chem, vol.73, pp.333-362, 2016.
URL : https://hal.archives-ouvertes.fr/hal-02196473

B. Meyer, B. Guillot, M. F. Ruiz-lopez, and A. Genoni, Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability, J. Chem. Theory Comput, vol.12, pp.1052-1067, 2016.
URL : https://hal.archives-ouvertes.fr/hal-01532026

B. Meyer, B. Guillot, M. F. Ruiz-lopez, C. Jelsch, and A. Genoni, Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability, J. Chem. Theory Comput, vol.12, 1068.
URL : https://hal.archives-ouvertes.fr/hal-01532026

B. Meyer and A. Genoni, Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks, J. Phys. Chem. A, vol.122, pp.8965-8981, 2018.
URL : https://hal.archives-ouvertes.fr/hal-01532026

G. Macetti and A. Genoni, Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for Macromolecules, J. Phys. Chem. A, vol.123, pp.9420-9428, 2019.
URL : https://hal.archives-ouvertes.fr/hal-02324013

G. Macetti, E. K. Wieduwilt, X. Assfeld, and A. Genoni, Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods, J. Chem. Theory Comput, vol.2020
URL : https://hal.archives-ouvertes.fr/hal-02592279

D. Arias-olivares, E. K. Wieduwilt, J. Contreras-garcia, A. Genoni, and . Nci-elmo, A New Method to Quickly and Accurately Detect Noncovalent Interactions in Biosystems, J. Chem. Theory Comput, vol.15, pp.6456-6470, 2019.
URL : https://hal.archives-ouvertes.fr/hal-02324015

L. A. Malaspina, E. K. Wieduwilt, J. Bergmann, F. Kleemiss, B. Meyer et al., Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy, J. Phys. Chem. Lett, vol.10, pp.6973-6982, 2019.
URL : https://hal.archives-ouvertes.fr/hal-02324019

A. Genoni, A first-prototype multi-determinant X-ray constrained wavefunction approach: The X-ray constrained extremely localized molecular orbital-valence bond method, Acta Crystallogr. Sect. A, vol.73, pp.312-316, 2017.
URL : https://hal.archives-ouvertes.fr/hal-02196483

N. Casati, A. Genoni, B. Meyer, A. Krawczuk, and P. Macchi, Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling, Acta Crystallogr. Sect. B, vol.73, pp.584-597, 2017.
URL : https://hal.archives-ouvertes.fr/hal-02196486

N. Casati, A. Kleppe, A. P. Jephcoat, and P. Macchi, Putting pressure on aromaticity along with in situ experimental electron density of a molecular crystal, Nat. Commun, 2016.

A. Genoni, D. Franchini, S. Pieraccini, and M. Sironi, X-ray Constrained Spin-Coupled Wavefunction: A New Tool to Extract Chemical Information from X-ray Diffraction Data, Chem. A Eur. J, vol.24, pp.15507-15511, 2018.
URL : https://hal.archives-ouvertes.fr/hal-02196487

A. Genoni, G. Macetti, D. Franchini, S. Pieraccini, and M. Sironi, X-ray constrained spin-coupled technique: theoretical details and further assessment of the method, Acta Crystallogr. Sect. A, vol.75, pp.778-797, 2019.
URL : https://hal.archives-ouvertes.fr/hal-02324008

D. L. Cooper, J. Gerratt, and M. Raimondi, Applications of spin-coupled valence bond theory, Chem. Rev, vol.91, pp.929-964, 1991.

D. L. Cooper, J. Gerratt, and M. Raimondi, The electronic structure of the benzene molecule, Nature, vol.323, pp.699-701, 1986.

D. L. Cooper, J. Gerrat, M. Raimondi, M. Sironi, and T. Thorsteinsson, Expansion of the spin-coupled wavefunction in Slater determinants, Theor. Chim. Acta, vol.85, pp.261-270, 1993.

M. Woi?ska, D. Jayatilaka, B. Dittrich, R. Flaig, P. Luger et al., Validation of X-ray Wavefunction Refinement, vol.18, pp.3334-3351, 2017.

H. Schmider, V. H. Smith, . Jr, and W. Weyrich, Determination of electron densities and one-matrices from experimental information, Trans. Am. Crystallogr. Assoc, vol.26, pp.125-140, 1990.

H. Schmider, V. H. Smith, and W. Weyrich, Reconstruction of the one-particle density matrix from expectation values in position and momentum space, J. Chem. Phys, vol.96, pp.8986-8994, 1992.

W. Weyrich, An electronic position and momentum density study of chemical bonding in TiO2 (Rutile), Lect. Ser. Comput. Comput. Sci, vol.5, pp.1-3, 2006.

J. Gillet, P. Cortona, and P. J. Becker, Joint refinement of a local wave-function model from Compton and Bragg scattering data, Phys. Rev. B, vol.63, p.235115, 2001.
URL : https://hal.archives-ouvertes.fr/hal-02270610

J. Gillet and P. J. Becker, Complementarity at work: Refining a quantum model from different data sets, J. Phys. Chem. Solids, vol.65, 2004.

J. Gillet, Determination of a one-electron reduced density matrix using a coupled pseudo-atom model and a set of complementary scattering data, Acta Crystallogr. Sect. A, vol.63, pp.234-238, 2007.
URL : https://hal.archives-ouvertes.fr/hal-02270758

B. De-bruyne and J. Gillet, Inferring the one-electron reduced density matrix of molecular crystals from experimental data sets through semidefinite programming, Acta Crystallogr. Sect, vol.2020, pp.1-6
URL : https://hal.archives-ouvertes.fr/hal-02482628

I. A. Kibalin, Z. Yan, A. B. Voufack, S. Gueddida, B. Gillon et al., Spin density in YTiO3: I. Joint refinement of polarized neutron diffraction and magnetic x-ray diffraction data leading to insights into orbital ordering, Phys. Rev. B, p.54426, 2017.
URL : https://hal.archives-ouvertes.fr/hal-01780403

Z. Yan, I. A. Kibalin, N. Claiser, S. Gueddida, B. Gillon et al., Spin density in YTiO3: II. Momentum-space representation of electron spin density supported by position-space results, Phys. Rev. B, p.54427, 2017.
URL : https://hal.archives-ouvertes.fr/hal-01779605

S. Gueddida, Z. Yan, and J. Gillet, Development of a joint refinement model for the spin-resolved oneelectron reduced density matrix using different data sets, Acta Crystallogr. Sect. A, vol.74, pp.131-142, 2018.
URL : https://hal.archives-ouvertes.fr/hal-01795046

S. Gueddida, Z. Yan, I. Kibalin, A. B. Voufack, N. Claiser et al., Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO3 using magnetic structure factors and magnetic Compton profiles data, J. Chem. Phys, vol.148, p.164106, 2018.
URL : https://hal.archives-ouvertes.fr/hal-01795041

A. Volkov, Y. A. Abramov, and P. Coppens, Critical examination of the radial functions in the Hansen-Coppens multipole model through topological analysis of primary and refined theoretical densities, Acta Crystallogr. Sect. A, vol.57, pp.395-405, 2001.

A. Volkov, Y. A. Abramov, and P. Coppens, Density-optimized radial exponents for X-ray charge-density refinement from ab initio crystal calculations, Acta Crystallogr. Sect. A, vol.57, pp.272-282, 2001.

V. Pichon-pesme, C. Lecomte, and H. Lachekar, On Building a Data Bank of Transferable Experimental Electron Density Parameters Applicable to Polypeptides, J. Phys. Chem, vol.99, pp.6242-6250, 1995.

S. Domaga?a, B. Fournier, D. Liebschner, B. Guillot, and C. Jelsch, An Improved Experimental Databank of Transferable Multipolar Atom Models-ELMAM2. Construction Details and Applications, Acta Crystallogr. Sect. A, vol.68, pp.337-351, 2012.

A. Volkov, X. Li, T. Koritsanszky, and P. Coppens, Ab InitioQuality Electrostatic Atomic and Molecular Properties Including Intermolecular Energies from a Transferable Theoretical Pseudoatom Databank, J. Phys. Chem. A, vol.108, pp.4283-4300, 2004.

B. Dittrich, C. B. Hubschle, P. Luger, and M. Spackman, A Introduction and validation of an invariom database for amino-acid, peptide and protein molecules, Acta Crystallogr. Sect. A, vol.62, pp.1325-1335, 2006.

K. N. Jarzembska and P. Dominiak, New version of the theoretical databank of transferable aspherical pseudoatoms, UBDB2011 -towards nucleic acid modelling, Acta Crystallogr. Sect. A, vol.68, pp.139-147, 2011.

B. Gruza, M. L. Chodkiewicz, J. Krzeszczakowska, and P. M. Dominiak, Refinement of organic crystal structures with multipolar electron scattering factors, Acta Crystallogr. Sect, vol.2020, pp.92-109

A. Fischer, D. Tiana, W. Scherer, K. Batke, G. Eickerling et al., Experimental and Theoretical Charge Density Studies at Subatomic Resolution, J. Phys. Chem. A, vol.115, pp.13061-13071, 2011.

M. Deutsch, N. Claiser, S. Pillet, Y. Chumakov, P. Becker et al., Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data, Acta Crystallogr. Sect. A, vol.68, pp.675-686, 2012.
URL : https://hal.archives-ouvertes.fr/hal-00762179

M. Deutsch, B. Gillon, N. Claiser, J. Gillet, C. Lecomte et al., First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments, IUCrJ, vol.1, pp.194-199, 2014.
URL : https://hal.archives-ouvertes.fr/hal-01225117

A. B. Voufack, N. Claiser, C. Lecomte, S. Pillet, Y. Pontillon et al., When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical, Acta Crystallogr. Sect. B, vol.73, pp.544-549, 2017.
URL : https://hal.archives-ouvertes.fr/hal-02196484

N. Wahlberg, N. Bindzus, L. Bjerg, J. Becker, S. Christensen et al., Powder X-ray Diffraction Electron Density of Cubic Boron Nitride, J. Phys. Chem. C, vol.119, pp.6164-6173, 2015.

R. Gajda, M. Stachowicz, A. Makal, S. Sutu?a, J. Parafiniuk et al., Experimental charge density of grossular under pressure-A feasibility study, IUCrJ, vol.2020, pp.383-392

E. Z. Eikeland, M. Borup, M. K. Thomsen, M. Roelsgaard, J. Overgaard et al., Single-Crystal High-Pressure X-ray Diffraction Study of Host Structure Compression in Clathrates of Dianin's Compound, Cryst. Growth Des, vol.2020