W. Chen, M. Sharma, R. Resta, G. Galli, and R. Car. Role of dipolar correlations in the infrared
spectra of water and ice. Phys. Rev. B 77, 245114 (2008).
K.N. Kudin, R. Car. Why water-hydrophobic interfaces are charged. J. Am. Chem. Soc. 130, 3915
(2008).
K.N. Kudin, B. Ozbas, H.C. Schniepp, R.K. Prud'homme, I.A. Aksay, R. Car, Raman Spectra of Graphite Oxide and Functionalized Graphene Sheets, Nanoletters 8, 36 (2008)
M.H. Cohen, R. Car, Dynamical optimization for partition theory, J. Phys. Chem. A 112, 571 (2008)
K.N. Kudin, R. Car, R. Resta, Quantization of the dipole moment and of the end charges in push-pull polymers, J. Chem. Phys. 127, 194902 (2007)
E. Prodan, R. Car, conductance of molecular wires, Phys. Rev. B 76, 115102 (2007)
M. Sharma, R. Resta, R. Car, Dipolar correlations and the dielectric permittivity of water, Phys. Rev. Lett. 98, 247401 (2007)
J. Morrone, V. Srinivasan, D. Sebastiani, R. Car, Proton momentum distribution in water: an open
path integral molecular dynamics study, J. Chem. Phys. 126, 234504 (2007)
J.L. Li, R. Car, C. Tang, N. Wingreen, Hydrophobic interaction and hydrogen-bond network for a methane pair in liquid water, PNAS 104, 2626 (2007)
Zilberman, S., E.I. Stiefel, M.H.Cohen, R.Car, Resolving the CO/CN ligand arrangement in CO-inactivated [Fe-Fe] hydrogenase by first principles density functional theory calculations, Inorg. Chem. 45 (15), 5715-5717 (2006)
De Angelis, F., N. Jin, R. Car, J.T.Groves, Electronic structure and reactivity of isomeric oxo-Mn(V) porphirins: effects of spin-state crossing and pK(a) modulation, Inorg. Chem. 45 (10), 4268-4276 (2006)
J.L. Li, K. Kudin, M.J. McAllister, R.K. Prud'homme, I.A. Aksay, R. Car, Oxygen driven unzipping of graphitic materials, Phys. Rev. Lett. 96(17), 176101 (2006)
Wang, X.F., S. Scandolo, and R. Car, Carbon phase diagram from ab initio molecular dynamics, Phys. Rev. Lett. 95(18), 185701(2005)
Gregor, T. and R. Car, Minimization of the potential energy surface of Lennard-Jones clusters by quantum optimization, Chem. Phys. Lett. 412(1-3), 125-130 (2005)
Burke, K., R. Car, and R. Gebauer, Density functional theory of the electrical conductivity of molecular devices, Phys. Rev. Lett., 94(14), 146803 (2005)
De Angelis, F., Jarzecki, A.A., Car, R., Spiro, T.G., Quantum chemical evaluation of protein control over heme ligation: CO/O-2 discrimination in myoglobin, J. Phys. Chem. B 109(7), 3065-3070 (2005)
Gebauer R, Car R, Current in open quantum systems, Phys Rev Lett 93 160404 (2004)
Gebauer R, Car R, Kinetic theory of quantum transport at the nanoscale, Phys Rev B 70 125324 (2004)
Kanai Y, Tilocca A, Selloni A Car R, First-principles string molecular dynamics : An efficient approach for finding chemical reaction pathways, J Chem Phys 121 3359 (2004)
G.E. Santoro, R. Martonak, E. Tosatti and R. Car, Theory of quantum annealing of an Ising spin glass, Science 295, 2427 (2002)
A. Pasquarello, I. Petri, P.S. Salmon, O. Parisel, R. Car, E. Toth, D.H. Powell, H.E. Fischer, L. Helm, and A. Merbach: First Solvation Shell of Cu(II) Aqua Ion: Evidence for Fivefold Coordination, Science 291, 856 (2001)
