L. R. Felts, J. T. Reilly, and J. J. Tanner, AcpA, Journal of Biological Chemistry, vol.281, issue.40, pp.30289-30298, 2006.
DOI : 10.1074/jbc.M606391200

G. Gadre and S. R. , Topography of Atomic and Molecular Scalar Fields, 1999.
DOI : 10.1142/9789812815156_0001

J. Leszczynski, Computational chemistry: reviews of current trends

G. Gatti and N. Ghermani, Charge density analysis book. The Source Function Descriptor as a Tool to Extract Chemical Information from Theoretical and Experimental Electron Densities. Struct, Phys. Scr. Bouhmaida, N, vol.147, issue.048102, pp.193-286, 1993.

Z. R. Grabowski, K. Rotkiewicz, and W. Rettig, Structural Changes Accompanying Intramolecular Electron Transfer:?? Focus on Twisted Intramolecular Charge-Transfer States and Structures, Chemical Reviews, vol.103, issue.10, pp.3899-4032, 2003.
DOI : 10.1021/cr940745l

P. Gouzerh and A. Proust, Main-Group Element, Organic, and Organometallic Derivatives of Polyoxometalates, Chemical Reviews, vol.98, issue.1, pp.77-112, 1998.
DOI : 10.1021/cr960393d

J. W. Han and C. L. Hill, -Based Oxidations, Journal of the American Chemical Society, vol.129, issue.49, pp.15094-15095, 2007.
DOI : 10.1021/ja069319v
URL : https://hal.archives-ouvertes.fr/hal-00908683

N. K. Hansen and P. Coppens, Testing aspherical atom refinements on small-molecule data sets, Acta Crystallographica Section A, vol.34, issue.6, pp.909-921, 1978.
DOI : 10.1107/S0567739478001886

Y. Hayashi, Y. Ozawa, and K. Isobe, Site-selective oxygen exchange and substitution of organometallic groups in an amphiphilic quadruple-cubane-type cluster. Synthesis and molecular structure of [(MCp*)4V6O19] (M = rhodium, iridium), Inorganic Chemistry, vol.30, issue.5, pp.1025-1033, 1991.
DOI : 10.1021/ic00005a028

C. L. Hill, Introduction:?? PolyoxometalatesMulticomponent Molecular Vehicles To Probe Fundamental Issues and Practical Problems, Chemical Reviews, vol.98, issue.1, pp.1-2, 1998.
DOI : 10.1021/cr960395y

J. W. Chem-]-han and C. L. Hill, A Coordination Network That Catalyzes, pp.234-238, 2006.

A. Holladay, P. Leung, and P. Coppens, -orbital occupancies of transition-metal atoms and electron-density multipole population parameters from X-ray diffraction data, Acta Crystallographica Section A Foundations of Crystallography, vol.39, issue.3, pp.377-387, 1983.
DOI : 10.1107/S0108767383000823

. Kaminski, R. Kaminski, B. Herbaczynska, M. Srebro, A. Pietrzykowski et al., On the nature of Ni???Ni interaction in a model dimeric Ni complex, Physical Chemistry Chemical Physics, vol.12, issue.21, pp.10280-10284, 2011.
DOI : 10.1039/c0cp01984d

P. S. Kanna, C. B. Mahendrakumar, B. N. Indira, S. Srivastawa, and K. Kalaiselvi, Chemopreventive effects of vanadium toward 1,2-dimethylhydrazine-induced genotoxicity and preneoplastic lesions in rat colon, Environmental and Molecular Mutagenesis, vol.53, issue.2, pp.113-118, 2004.
DOI : 10.1002/em.20038

T. S. Koritsanszky and P. Coppens, Chemical Applications of X-ray Charge-Density Analysis, Chemical Reviews, vol.101, issue.6, pp.1583-1628, 2001.
DOI : 10.1021/cr990112c

D. Krsti, K. Krinulo-i, and V. Si, -ATPase by metal ions and prevention and recovery of inhibited activities by chelators, Journal of Enzyme Inhibition and Medicinal Chemistry, vol.2, issue.5, pp.469-476, 2005.
DOI : 10.1016/0024-3205(73)90106-9

K. Kurki-suonio-]-kurki-suonio, IV. Symmetry and its Implications, Israel Journal of Chemistry, vol.31, issue.2-3, pp.115-123, 1977.
DOI : 10.1002/ijch.197700020
URL : https://hal.archives-ouvertes.fr/in2p3-00803633

H. Kwen, V. G. Young, . Jr, and E. A. Maatta, A Diazoalkane Derivative of a Polyoxometalate: Preparation and Structure of [Mo6O18(NNC(C6H4OCH3)CH3)]2, Angewandte Chemie International Edition, vol.38, issue.8, pp.1145-1146, 1999.
DOI : 10.1002/(SICI)1521-3773(19990419)38:8<1145::AID-ANIE1145>3.0.CO;2-M

D. Long and L. Cronin, Towards Polyoxometalate-Integrated Nanosystems, Chemistry - A European Journal, vol.12, issue.14, pp.3698-3706, 2006.
DOI : 10.1002/chem.200501002

D. Long, R. Tsunashima, and L. Cronin, Polyoxometalates: Building Blocks for Functional Nanoscale Systems, Angewandte Chemie International Edition, vol.24, issue.10, pp.1736-1758, 2010.
DOI : 10.1002/anie.200902483

T. Lu and F. Chen, Multiwfn: A multifunctional wavefunction analyzer, Journal of Computational Chemistry, vol.113, issue.5, pp.580-592, 2012.
DOI : 10.1002/jcc.22885

M. Ma, H. Meng, X. Sha, J. Pang, H. Wu et al., Synthesis, crystal structure and properties of a new bi-dentate decavanadate [Cu(en)2H2O]2[H2V10O28]??12H2O, Solid State Sciences, vol.13, issue.5, pp.850-854, 2011.
DOI : 10.1016/j.solidstatesciences.2011.03.007

P. Macchi, A. Sironi, and P. Veya, Interactions involving metals: from " chemic l c tegories " to QTAIM, nd b ckw rds, ch pter 13 The quantum theory of atoms in molecules: from solid state to DNA and drug design, P. L.; Hubig, S. M, 2007.

C. F. Matta and R. J. Boyd, The quantum theory of atoms in molecules: from solid state to DNA and drug design, Henn, J.; Kocher, N, 2007.
DOI : 10.1002/9783527610709

J. M. Messmore and R. T. Raines, Decavanadate Inhibits Catalysis by Ribonuclease A, Archives of Biochemistry and Biophysics, vol.381, issue.1, pp.25-30, 2000.
DOI : 10.1006/abbi.2000.1951

S. Roy and R. S. Mulliken, The Chemistry of Nanomaterials: Synthesis, Properties and Applications, J. Phys. Chem, vol.56, pp.801-822, 1952.

R. S. Mulliken and W. B. Person, Donor-Acceptor Complexes, Annual Review of Physical Chemistry, vol.13, issue.1, pp.107-126, 1962.
DOI : 10.1146/annurev.pc.13.100162.000543

H. S. Nalwa, . Neier, C. Trojanowski, and R. Mattes, Handbook of Organic Conductive Molecules and Polymers, J. Chem. Soc. Dalton Trans, pp.2521-2528, 1995.

P. Pathak, R. K. Gadre, and S. R. , Maximal and minimal characteristics of molecular electrostatic potentials, The Journal of Chemical Physics, vol.93, issue.3, pp.1770-1773, 1990.
DOI : 10.1063/1.459703

J. P. Perdew, Density-functional approximation for the correlation energy of the inhomogeneous electron gas, Physical Review B, vol.33, issue.12, pp.8822-8824, 1986.
DOI : 10.1103/PhysRevB.33.8822

M. T. Pope, I. Heteropoly, . Oxometalates, . Berlin, M. T. Pope et al., Polyoxometalate Chemistry: An Old Field with New Dimensions in Several Disciplines, Angewandte Chemie International Edition in English, vol.30, issue.1, pp.34-48, 1983.
DOI : 10.1002/anie.199100341

B. Rees and . A. Mitschler, Electronic structure of chromium hexacarbonyl at liquid nitrogen temperature. 2. Experimental study (x-ray and neutron diffraction) of .sigma. and .pi. bonding, Journal of the American Chemical Society, vol.98, issue.25, pp.7918-7924, 1976.
DOI : 10.1021/ja00441a005

M. Sadakane and E. Steckhan, Electrochemical Properties of Polyoxometalates as Electrocatalysts, Chemical Reviews, vol.98, issue.1, pp.219-237, 1998.
DOI : 10.1021/cr960403a

C. Sanchez, F. Ribot, and B. Lebeau, Molecular design of hybrid organic-inorganic nanocomposites synthesized via sol-gel chemistry, Journal of Materials Chemistry, vol.9, issue.1, pp.35-44, 1999.
DOI : 10.1039/a805538f

?. Scheiner and . Bobis, The sodium pump, European Journal of Biochemistry, vol.363, issue.10, pp.2424-2433, 2002.
DOI : 10.1046/j.1432-1033.2002.02909.x

J. Schulz, R. Gyepes, . Cisarova, and P. Stepnicka, Synthesis, structural characterisation and bonding in an anionic hexavanadate bearing redox-active ferrocenyl groups at the periphery, New Journal of Chemistry, vol.14, issue.200, pp.2749-2756, 2010.
DOI : 10.1039/c0nj00421a

G. M. Sheldrick, G. Sheldrick, and . Sadabs, SHELXS97 and SHELXL97: programs for crystal structure refinement, Acta Crystallogr, issue.10, pp.64-112, 1997.

M. A. Spackman, Annu Rep Progr Chem C Phys Chem, pp.177-207, 1997.

M. A. Spackman and D. Jayatilaka, Hirshfeld surface analysis, CrystEngComm, vol.9, issue.1, pp.19-32, 2009.
DOI : 10.1039/B818330A

Y. Wei, B. Xu, C. L. Barnes, and Z. Peng, An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates, Journal of the American Chemical Society, vol.123, issue.17, pp.4083-4084, 2001.
DOI : 10.1021/ja004033q

H. Xu, L. Zhang, Z. Li, X. Liu, H. Hu et al., Synthesis, structures and properties of two novel charge-transfer complexes with the ratio of ferrocenyl:POM of 1:1, (Bu4N)[CpFeCpCH2N(C2H5)3][M6O19] (M=Mo, W), Solid State Sciences, vol.12, issue.8, pp.1332-1336, 2010.
DOI : 10.1016/j.solidstatesciences.2010.05.002

Y. Zhao and D. G. Truhlar, The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals, Theoretical Chemistry Accounts, vol.103, issue.1-3, pp.215-256, 2008.
DOI : 10.1007/s00214-007-0310-x

X. Zhu, Q. Yang, and M. Muntwiler, Charge-Transfer Excitons at Organic Semiconductor Surfaces and Interfaces, Accounts of Chemical Research, vol.42, issue.11, pp.1779-1787, 2009.
DOI : 10.1021/ar800269u

X. Xu, N. O?njakovi?-pavlovi?, D. Krsti?, M. ?olovi?, V. Vasi? et al., ATPase inhibition properties of functionalized hexavanadate: a new series with promising properties», Serbian Crystallographic Meeting, pp.31-33

X. Xu, A. Chitre, T. Douglas, R. Johanson, C. Lim et al., « Prediction of interaction site of a drug. A combined approach using high resolution diffraction experiment, ab initio calculations, CSD analysis and molecular interaction field determination, Serbian Crystallographic Meeting, pp.31-33

X. Xu, A. Chitre, T. Douglas, R. Johanson, C. Lim et al., « Prediction of interaction site of a drug. A combined approach using high resolution diffraction experiment, ab initio calculations, CSD analysis and molecular interaction field determination », Rencontres Entreprises -Doctorants, 2013.

G. , A. Spasojevi?-?-de, and B. , « Experimental and Theoretical Charge Density Study of a Functionalized Hexavanadate, Serbian Crystallographic Meeting, pp.13-15, 2013.

G. , A. Spasojevi?-?-de, and B. , « Experimental and Theoretical Charge Density Study of a Functionalized Hexavanadate », 19 th Colloque de Recherche Inter-Ecole Centrales, pp.24-27, 2013.

X. Xu, S. Novakovic, N. O?njakovi?-pavlovi??n-e, . Y. Ghermani?, and . Wei?a, SPASOJEVI? ? de BIRÉ. « Experimental Electronic Properties of a Fluorescent Polyoxovanadate-Based Intramolecular Charge Transfer Hybrid. An High Resolution X-ray Diffraction Study », 13 th multidisciplinary symposium on theme of crystallography, p.13, 2014.

X. Xu, S. Novakovic, N. O?njakovi?-pavlovi??n-e, . Y. Ghermani?, and . Wei?a, SPASOJEVI? ? de BIRÉ. « Experimental Charge Density Study of a Fluorescent Polyoxovanadate-Based Charge Transfer Hybrid », 9 th International Vanadium Symposium, p.15, 2014.