T. A. Fulton and G. J. Dolan, Observation of single-electron charging effects in small tunnel junctions. Physical review letters, p.109, 1987.

D. V. Averin and K. K. Likharev, Coulomb blockade of single-electron tunneling, and coherent oscillations in small tunnel junctions, Journal of Low Temperature Physics, vol.29, issue.3-4, pp.3-4345, 1986.
DOI : 10.1007/BF00683469

S. Datta, Electronic transport in mesoscopic systems, 1997.

C. Joachim and M. A. Ratner, Molecular electronics: Some views on transport junctions and beyond, Proceedings of the National Academy of Sciences of the United States of America, pp.8801-8808, 2005.
DOI : 10.1073/pnas.0500075102

J. Bylander, T. Duty, and P. Delsing, Current measurement by real-time counting of single electrons, Nature, vol.68, issue.7031, pp.361-364, 2005.
DOI : 10.1103/PhysRevB.68.045321

M. Magoga and C. Joachim, Conductance of molecular wires connected or bonded in parallel, Physical Review B, vol.59, issue.24, p.16011, 1999.
DOI : 10.1103/PhysRevB.59.16011

M. Büttiker, Y. Imry, R. Landauer, and S. Pinhas, Generalized many-channel conductance formula with application to small rings, Physical Review B, vol.31, issue.10, p.316207, 1985.
DOI : 10.1103/PhysRevB.31.6207

M. Cahay, M. Mclennan, S. Datta, and M. S. Lundstrom, Importance of space???charge effects in resonant tunneling devices, Applied Physics Letters, vol.50, issue.10, pp.50612-614, 1987.
DOI : 10.1063/1.98097

F. Rana, S. Tiwari, and D. A. Buchanan, Self???consistent modeling of accumulation layers and tunneling currents through very thin oxides, Applied Physics Letters, vol.69, issue.8, pp.691104-1106, 1996.
DOI : 10.1063/1.117072

A. Nitzan and M. A. Ratner, Electron transport in molecular wire junctions Molecular wire conductance : Electrostatic potential spatial profile, Science The Journal of Chemical Physics, vol.300, issue.112, pp.1384-13896834, 2000.

H. Ness and A. J. Fisher, calculations, Physical Review B, vol.56, issue.19, p.12469, 1997.
DOI : 10.1103/PhysRevB.56.12469

B. A. Lippmann and J. Schwinger, Variational Principles for Scattering Processes. I, Physical Review, vol.79, issue.3, p.469, 1950.
DOI : 10.1103/PhysRev.79.469

N. Renaud, M. A. Ratner, and C. Joachim, A Time-Dependent Approach to Electronic Transmission in Model Molecular Junctions, The Journal of Physical Chemistry B, vol.115, issue.18, pp.5582-5592, 2011.
DOI : 10.1021/jp111384d

N. Renaud, Calculateurs quantiques hamiltoniens : vers une analyse symbolique des circuits quantiques, 2009.

N. Renaud and C. Joachim, Design and stability of NOR and NAND logic gates constructed with three quantum states, Physical Review A, vol.78, issue.6, p.62316, 2008.
DOI : 10.1103/PhysRevA.78.062316

N. Renaud, M. Ito, W. Shangguan, M. Saeys, M. Hliwa et al., A NOR???AND quantum running gate molecule, Chemical Physics Letters, vol.472, issue.1-3, pp.74-79, 2009.
DOI : 10.1016/j.cplett.2009.02.071

W. H. Soe, C. Manzano, N. Renaud, P. De-mendoza, A. De-sarkar et al., Manipulating Molecular Quantum States with Classical Metal Atom Inputs: Demonstration of a Single Molecule NOR Logic Gate, ACS Nano, vol.5, issue.2, pp.1436-1440, 2011.
DOI : 10.1021/nn1033899

J. Bardeen, Tunnelling from a Many-Particle Point of View, Physical Review Letters, vol.6, issue.2, pp.57-59, 1961.
DOI : 10.1103/PhysRevLett.6.57

A. D. Gottlieb and L. Wesoloski, Bardeen???s tunnelling theory as applied to scanning tunnelling microscopy: a technical guide to the traditional interpretation, Nanotechnology, vol.17, issue.8, pp.17-57, 2006.
DOI : 10.1088/0957-4484/17/8/R01

J. Tersoff and D. R. Hamann, Theory and application for the scanning tunneling microscope. Physical review letters, pp.1998-2001, 1983.

J. Tersoff and D. R. Hamann, Theory of the scanning tunneling microscope, Scanning Tunneling Microscopy, pp.59-67, 1993.

M. Vérot, S. A. Borshch, and V. Robert, Importance of a multiconfigurational description for molecular junctions, Chemical Physics Letters, vol.519, issue.520, pp.125-129, 2012.
DOI : 10.1016/j.cplett.2011.11.013

R. Landauer, Spatial Variation of Currents and Fields Due to Localized Scatterers in Metallic Conduction, IBM Journal of Research and Development, vol.1, issue.3, pp.223-231, 1957.
DOI : 10.1147/rd.13.0223

R. Landauer, Electrical resistance of disordered one-dimensional lattices, Philosophical Magazine, vol.1, issue.172, pp.863-867, 1970.
DOI : 10.1080/00018736100101271

G. Doyen, Tunnel current and generalized Ehrenfest theorem, Journal of Physics: Condensed Matter, vol.5, issue.20, p.3305, 1993.
DOI : 10.1088/0953-8984/5/20/003
URL : http://hdl.handle.net/11858/00-001M-0000-0011-2172-E

P. Sautet and C. Joachim, Electronic transmission coefficient for the single-impurity problem in the scattering-matrix approach, Physical Review B, vol.38, issue.17, p.12238, 1988.
DOI : 10.1103/PhysRevB.38.12238

Y. Meir and N. S. Wingreen, Landauer formula for the current through an interacting electron region. Physical review letters, pp.2512-2515, 1992.

J. Singleton, Band Theory and Electronic Properties of Solids, Oxford Master Series in Condensed Matter Physics. OUP Oxford, 2001.

A. Szabo and N. S. Ostlund, Modern quantum chemistry : introduction to advanced electronic structure theory, 1989.

M. Born and R. Oppenheimer, Zur Quantentheorie der Molekeln, Annalen der Physik, vol.84, pp.457-484, 1927.

C. John, . Slater, F. George, and . Koster, Simplified lcao method for the periodic potential problem, Physical Review, vol.94, issue.6, p.1498, 1954.

A. Julg and P. Francois, Structure électronique de l'hexatriène (méthode lcao améliorée), J. chim. phys, vol.57, issue.63, p.960, 1960.

F. Bloch, ???ber die Quantenmechanik der Elektronen in Kristallgittern, Zeitschrift f???r Physik, vol.52, issue.7-8, pp.555-600, 1928.
DOI : 10.1007/BF01339455

W. Kohn and L. J. Sham, Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, vol.140, issue.4A, p.1133, 1965.
DOI : 10.1103/PhysRev.140.A1133

P. Hohenberg and W. Kohn, Inhomogeneous Electron Gas, Physical Review, vol.136, issue.3B, p.864, 1964.
DOI : 10.1103/PhysRev.136.B864

]. R. Bibliographie1 and . Landauer, Spatial variation of currents and fields due to localized scatterers in metallic conduction, IBM Journal of Research and Development, vol.1, issue.3, pp.223-231, 1957.

R. Landauer, Electrical resistance of disordered one-dimensional lattices, Philosophical Magazine, vol.1, issue.172, pp.863-867, 1970.
DOI : 10.1080/00018736100101271

J. Singleton, Band Theory and Electronic Properties of Solids, Oxford Master Series in Condensed Matter Physics. OUP Oxford, 2001.

W. H. Soe, H. S. Wong, C. Manzano, M. Grisolia, M. Hliwa et al., -benzocoronene Oligomers, ACS Nano, vol.6, issue.4, pp.3230-3235, 2012.
DOI : 10.1021/nn300110k
URL : https://hal.archives-ouvertes.fr/hal-00263971

P. O. Löwdin, Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction, Physical Review, vol.97, issue.6, pp.1474-1489, 1955.
DOI : 10.1103/PhysRev.97.1474

P. Sautet, Etude théorique du contrôle de la transmission électronique au long d'une chaine conductrice par insertion d'une impureté active, 1989.

A. Szabo and N. S. Ostlund, Modern quantum chemistry : introduction to advanced electronic structure theory, 1989.

M. Born and R. Oppenheimer, Zur Quantentheorie der Molekeln, Annalen der Physik, vol.84, pp.457-484, 1927.

L. and D. Broglie, Recherches sur la théorie des quanta, Migrationuniversité en cours d'affectation, 1924.

P. Sautet and C. Joachim, Electronic interference produced by a benzene embedded in a polyacetylene chain, Chemical Physics Letters, vol.153, issue.6, pp.511-516, 1988.
DOI : 10.1016/0009-2614(88)85252-7

C. Joachim and J. K. Gimzewski, An electromechanical amplifier using a single molecule, Chemical Physics Letters, vol.265, issue.3-5, pp.353-357, 1997.
DOI : 10.1016/S0009-2614(97)00014-6

C. Joachim, J. K. Gimzewski, and H. Tang, transistor effect, Physical Review B, vol.58, issue.24, p.16407, 1998.
DOI : 10.1103/PhysRevB.58.16407

F. Sols, M. Macucci, U. Ravaioli, and K. Hess, On the possibility of transistor action based on quantum interference phenomena, Applied Physics Letters, vol.54, issue.4, pp.350-352, 1989.
DOI : 10.1063/1.100966

S. Ke, W. Yang, and H. U. Baranger, Quantum-Interference-Controlled Molecular Electronics, Nano Letters, vol.8, issue.10, pp.3257-3261, 2008.
DOI : 10.1021/nl8016175

D. Darau, G. Begemann, A. Donarini, and M. Grifoni, Interference effects on the transport characteristics of a benzene single-electron transistor, Physical Review B, vol.79, issue.23, p.235404, 2009.
DOI : 10.1103/PhysRevB.79.235404

K. K. Saha, V. Nikoli?, B. K. Meunier, W. Lu, and J. Bernholc, Quantuminterference-controlled three-terminal molecular transistors based on a single ring-shaped molecule connected to graphene nanoribbon electrodes, Physical review letters, issue.23, p.105236803, 2010.

P. Sautet and C. Joachim, The Sixl-Higelin salicylideneaniline molecular switch revisited, Chemical Physics, vol.135, issue.1, pp.99-108, 1989.
DOI : 10.1016/0301-0104(89)87009-0

R. Baer, D. C. Neuhauser-]-g, D. Q. Solomon, R. H. Andrews, T. Goldsmith et al., Phase Coherent Electronics:?? A Molecular Switch Based on Quantum Interference, Journal of the American Chemical Society, vol.124, issue.16, pp.4200-4201, 2002.
DOI : 10.1021/ja016605s

I. Duchemin, N. Renaud, and C. Joachim, An intramolecular digital 1/2-adder with tunneling current drive and read-outs, Chemical Physics Letters, vol.452, issue.4-6, pp.269-274, 2008.
DOI : 10.1016/j.cplett.2007.12.056

N. Jlidat, M. Hliwa, and C. Joachim, A molecule OR logic gate with no molecular rectifier, Chemical Physics Letters, vol.470, issue.4-6, pp.275-278, 2009.
DOI : 10.1016/j.cplett.2009.01.062

J. Yi and G. Cuniberti, A Three Terminal Ring Interferometer Logic Gate, Annals of the New York Academy of Sciences, vol.281, issue.1, pp.306-311, 2003.
DOI : 10.1196/annals.1292.021

M. Magoga and C. Joachim, Conductance of molecular wires connected or bonded in parallel, Physical Review B, vol.59, issue.24, p.16011, 1999.
DOI : 10.1103/PhysRevB.59.16011

G. C. Solomon, D. Q. Andrews, T. Hansen, R. H. Goldsmith, M. R. Wasielewski et al., Understanding quantum interference in coherent molecular conduction, The Journal of Chemical Physics, vol.129, issue.5, p.54701, 2008.
DOI : 10.1063/1.2958275

T. Markussen, R. Stadler, and K. S. Thygesen, The Relation between Structure and Quantum Interference in Single Molecule Junctions, Nano Letters, vol.10, issue.10, pp.4260-4265, 2010.
DOI : 10.1021/nl101688a

B. T. Pickup and P. W. Fowler, An analytical model for steady-state currents in conjugated systems, Chemical Physics Letters, vol.459, issue.1-6, pp.198-202, 2008.
DOI : 10.1016/j.cplett.2008.05.062

K. Yoshizawa, T. Tada, and A. Staykov, Orbital Views of the Electron Transport in Molecular Devices, Journal of the American Chemical Society, vol.130, issue.29, pp.9406-9413, 2008.
DOI : 10.1021/ja800638t

J. P. Bergfield, G. C. Solomon, C. A. Stafford, and M. A. Ratner, Novel Quantum Interference Effects in Transport through Molecular Radicals, Nano Letters, vol.11, issue.7, pp.2759-2764, 2011.
DOI : 10.1021/nl201042m

C. M. Guédon, H. Valkenier, T. Markussen, K. S. Thygesen, J. C. Hummelen et al., Observation of quantum interference in molecular charge transport, Nature Nanotechnology, vol.9, issue.5, pp.305-309, 2012.
DOI : 10.1038/nnano.2012.37

H. Vazquez, R. Skouta, S. Schneebeli, M. Kamenetska, R. Breslow et al., Probing the conductance

]. M. Bibliographie, C. Magoga, and . Joachim, Minimal attenuation for tunneling through a molecular wire, Physical Review B, vol.57, issue.13, p.1820, 1998.

M. Magoga and C. Joachim, Conductance and transparence of long molecular wires, Physical Review B, vol.56, issue.8, p.4722, 1997.
DOI : 10.1103/PhysRevB.56.4722

V. Mujica, M. Kemp, and M. A. Ratner, Electron conduction in molecular wires. I. A scattering formalism, The Journal of Chemical Physics, vol.101, issue.8, p.6849, 1994.
DOI : 10.1063/1.468314

L. Lafferentz, F. Ample, H. Yu, S. Hecht, C. Joachim et al., Conductance of a Single Conjugated Polymer as a Continuous Function of Its Length, Science, vol.323, issue.5918
DOI : 10.1126/science.1168255

V. J. Langlais, R. R. Schlittler, H. Tang, A. Gourdon, C. Joachim et al., Spatially Resolved Tunneling along a Molecular Wire, Physical Review Letters, vol.83, issue.14, pp.2809-2812, 1999.
DOI : 10.1103/PhysRevLett.83.2809

D. J. Wold, R. Haag, M. A. Rampi, and C. D. Frisbie, Distance Dependence of Electron Tunneling through Self-Assembled Monolayers Measured by Conducting Probe Atomic Force Microscopy:?? Unsaturated versus Saturated Molecular Junctions, The Journal of Physical Chemistry B, vol.106, issue.11, pp.2813-2816, 2002.
DOI : 10.1021/jp013476t

M. Koch, F. Ample, C. Joachim, and L. Grill, Voltage-dependent conductance of a single graphene nanoribbon, Nature Nanotechnology, vol.1, issue.11, 2012.
DOI : 10.1021/nl201590f

A. Ferretti, G. Mallia, L. Martin-samos, G. Bussi, A. Ruini et al., Ab initio complex band structure of conjugated polymers : Effects of hydrid density functional theory and gw schemes, Physical Review B, issue.23, p.85235105, 2012.

W. Wang, T. Lee, and M. A. Reed, Mechanism of electron conduction in self-assembled alkanethiol monolayer devices, Physical Review B, vol.68, issue.3, pp.35416-3201482, 2003.
DOI : 10.1103/PhysRevB.68.035416

H. Zalinge, Measurement of single molecule conductivity using the spontaneous formation of molecular wires, Physical Chemistry Chemical Physics, vol.6, issue.17, pp.4330-4337, 2004.

B. Anderson and . Albinsson, Probing the efficiency of electron transfer through porphyrin-based molecular wires, Journal of the American Chemical Society, vol.129, issue.14, pp.4291-4297, 2007.

G. Sedghi, K. Sawada, L. J. Esdaile, M. Hoffmann, H. L. Anderson et al., Single Molecule Conductance of Porphyrin Wires with Ultralow Attenuation, Journal of the American Chemical Society, vol.130, issue.27, pp.1308582-8583, 2008.
DOI : 10.1021/ja802281c

H. Sakaguchi, A. Hirai, F. Iwata, A. Sasaki, T. Nagamura et al., Determination of performance on tunnel conduction through molecular wire using a conductive atomic force microscope, Applied Physics Letters, vol.79, issue.22, pp.793708-3710, 2001.
DOI : 10.1063/1.1421233

L. Luo and C. D. Frisbie, Length-Dependent Conductance of Conjugated Molecular Wires Synthesized by Stepwise ???Click??? Chemistry, Journal of the American Chemical Society, vol.132, issue.26, pp.8854-8855, 2010.
DOI : 10.1021/ja103239b

G. Peng, M. Strange, K. S. Thygesen, and M. Mavrikakis, Conductance of Conjugated Molecular Wires: Length Dependence, Anchoring Groups, and Band Alignment, The Journal of Physical Chemistry C, vol.113, issue.49, pp.20967-20973, 2009.
DOI : 10.1021/jp9084603

C. Joachim and M. Magoga, The effective mass of an electron when tunneling through a molecular wire, Chemical Physics, vol.281, issue.2-3, pp.347-352, 2002.
DOI : 10.1016/S0301-0104(02)00372-5

A. Nitzan and M. A. Ratner, Electron Transport in Molecular Wire Junctions, Science, vol.300, issue.5624, pp.1384-1389, 2003.
DOI : 10.1126/science.1081572

C. Joachim, J. K. Gimzewski, and A. Aviram, Electronics using hybridmolecular and mono-molecular devices, Nature, vol.408, issue.6812, pp.541-548, 2000.
DOI : 10.1038/35046000

S. Fraysse, C. Coudret, and J. Launay, Molecular Wires Built from Binuclear Cyclometalated Complexes, Journal of the American Chemical Society, vol.125, issue.19, pp.5880-5888, 2003.
DOI : 10.1021/ja0299506

J. M. Tour, A. M. Rawlett, M. Kozaki, Y. Yao, R. C. Jagessar et al., Synthesis and Preliminary Testing of Molecular Wires and Devices, Chemistry - A European Journal, vol.32, issue.4, pp.5118-5134, 2001.
DOI : 10.1002/1521-3765(20011203)7:23<5118::AID-CHEM5118>3.0.CO;2-1

F. Paul and C. Lapinte, Organometallic molecular wires and other nanoscalesized devices : an approach using the organoiron (dppe) cp* fe building block. Coordination chemistry reviews, pp.431-509, 1998.

R. E. Martin and F. Diederich, Linear Monodisperse ??-Conjugated Oligomers: Model Compounds for Polymers and More, Angewandte Chemie International Edition, vol.38, issue.10, pp.1350-1377, 1999.
DOI : 10.1002/(SICI)1521-3773(19990517)38:10<1350::AID-ANIE1350>3.0.CO;2-6

K. Sugiyasu, Y. Honsho, R. M. Harrison, A. Sato, T. Yasuda et al., A Self-Threading Polythiophene: Defect-Free Insulated Molecular Wires Endowed with Long Effective Conjugation Length, Journal of the American Chemical Society, vol.132, issue.42, pp.13214754-14756, 2010.
DOI : 10.1021/ja107444m

S. Ciraci and E. Tekman, Theory of transition from the tunneling regime to point contact in scanning tunneling microscopy, Physical Review B, vol.40, issue.17, p.11969, 1989.
DOI : 10.1103/PhysRevB.40.11969

W. Tian, S. Datta, S. Hong, J. I. Reifenberger, C. P. Henderson et al., Conductance spectra of molecular wires, The Journal of Chemical Physics, vol.109, issue.7, p.2874, 1998.
DOI : 10.1063/1.476841

C. Wang, A. S. Batsanov, M. R. Bryce, S. Martin, R. J. Nichols et al., Oligoyne Single Molecule Wires, Journal of the American Chemical Society, vol.131, issue.43, pp.13115647-15654, 2009.
DOI : 10.1021/ja9061129

A. Szabo and N. S. Ostlund, Modern quantum chemistry : introduction to advanced electronic structure theory, DoverPublications. com, 1989.

C. E. Le-dinitro-cyclobutadiène and . Shannon, modélisation et portes logiques mono-électroniques Bibliographie [1] G. Boole. The mathematical analysis of logic A symbolic analysis of relay and switching circuits, Electrical Engineering, vol.57, issue.12, pp.713-723, 1938.

J. C. Ellenbogen and J. C. Love, Architectures for molecular electronic computers. I. Logic structures and an adder designed from molecular electronic diodes, Proceedings of the IEEE, pp.386-426, 2000.
DOI : 10.1109/5.838115

J. Lu, H. Chen, J. Wu, H. Mizuseki, and Y. Kawazoe, <B><I>Ab Initio</I></B> Modeling of Real Molecular Logic Devices, MATERIALS TRANSACTIONS, vol.42, issue.11, pp.2270-2275, 2001.
DOI : 10.2320/matertrans.42.2270

N. Jlidat, M. Hliwa, and C. Joachim, A semi-classical XOR logic gate integrated in a single molecule, Chemical Physics Letters, vol.451, issue.4-6, pp.270-275, 2008.
DOI : 10.1016/j.cplett.2007.12.028

R. D. Levine and F. Remacle, Realization of Complex Logic Operations at the Nanoscale, Architecture and Design of Molecule Logic Gates and Atom Circuits, pp.195-220, 2013.
DOI : 10.1007/978-3-642-33137-4_16

M. Klein, G. P. Lansbergen, J. A. Mol, S. Rogge, R. D. Levine et al., Reconfigurable Logic Devices on a Single Dopant Atom-Operation up to a Full Adder by Using Electrical Spectroscopy, ChemPhysChem, vol.86, issue.1, pp.162-173, 2009.
DOI : 10.1002/cphc.200800568

X. Zhou, D. W. Leung, and I. L. Chuang, Methodology for quantum logic gate construction, Physical Review A, vol.62, issue.5, p.52316, 2000.
DOI : 10.1103/PhysRevA.62.052316

C. Monroe, D. M. Meekhof, B. E. King, W. M. Itano, and D. J. Wineland, Demonstration of a Fundamental Quantum Logic Gate, Physical Review Letters, vol.75, issue.25, pp.754714-4717, 1995.
DOI : 10.1103/PhysRevLett.75.4714

A. Barenco, D. Deutsch, A. Ekert, and R. Jozsa, Conditional Quantum Dynamics and Logic Gates, Physical Review Letters, vol.74, issue.20, p.744083, 1995.
DOI : 10.1103/PhysRevLett.74.4083
URL : http://arxiv.org/abs/quant-ph/9503017

D. P. Divincenzo, J. A. Jones, and M. Mosca, Quantum computation Implementation of a quantum algorithm on a nuclear magnetic resonance quantum computer, Science The Journal of chemical physics, vol.270, issue.109, pp.255-2611648, 1995.

A. Barenco, C. H. Bennett, R. Cleve, D. P. Divincenzo, N. Margolus et al., Elementary gates for quantum computation, Physical Review A, vol.52, issue.5, p.523457, 1995.
DOI : 10.1103/PhysRevA.52.3457

N. Renaud, Calculateurs quantiques hamiltoniens : vers une analyse symbolique des circuits quantiques, 2009.

N. Renaud and C. Joachim, Design and stability of NOR and NAND logic gates constructed with three quantum states, Physical Review A, vol.78, issue.6, p.62316, 2008.
DOI : 10.1103/PhysRevA.78.062316

N. Renaud, M. Hliwa, and C. Joachim, Quantum design rules for single molecule logic gates, Physical Chemistry Chemical Physics, vol.23, issue.32, pp.14404-14416, 2011.
DOI : 10.1021/jp111384d

N. Renaud, M. Ito, W. Shangguan, M. Saeys, M. Hliwa et al., A NOR???AND quantum running gate molecule, Chemical Physics Letters, vol.472, issue.1-3, pp.74-79, 2009.
DOI : 10.1016/j.cplett.2009.02.071