Tully, John C. - Yale University - Department of Chemistry

个人简介

Fellow, American Physical Society, 1978 AT&T Bell Laboratories Distinguished Technical Staff Award, 1982 AT&T Bell Laboratories Affirmative Action Award, 1992 Fellow, American Association for the Advancement of Science 1992 American Chemical Society Peter Debye Award in Physical Chemistry, 1995 Fellow, American Academy of Arts and Sciences, 1997 Member, U. S. National Academy of Sciences, 1997 Member, Connecticut Academy of Science and Engineering, 1998 American Chemical Society Madison Marshall Award, 1999 Member, International Academy of Quantum Molecular Sciences, 2000 Special Issue of the Journal of Physical Chemistry: “John C. Tully Festschrift,” 2002 American Chemical Society Award in Theoretical Chemistry, 2004 John Simon Guggenheim Memorial Foundation Fellow, 2005 Maurice Shock Visiting Fellow, University College, Oxford University, 2005 American Chemical Society Ira Remsen Award, 2008

研究领域

Physical Chemistry/Theoretical Chemistry

近期论文

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"Electron-Hole Pair Contributions to Scattering, Sticking and Surface Diffusion: CO on Cu(100)," J. T. Kindt, J. C. Tully, M. Head-Gordon and M. A. Gomez, J. Chem. Phys. 109, 3629 (1998). "Chemical Dynamics at Metal Surfaces," J. C. Tully, Ann. Revs. Phys. Chem. 51, 153 (2000). "Vibrational Energy Pooling in CO on NaCl(100): Simulation and Isotope Effects", S. A. Corcelli and J. C. Tully, J. Phys. Chem. A. 106 10849 (2002). "Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born-Oppenheimer approximation for surface chemistry?", A. M. Wodtke, J. C. Tully, and D. J. Auerbach, Intl. Rev. Phys. Chem 23(4), 513-539 (2004). "Ab initio studies of the interaction of oxygen with perfect and defective graphite surfaces", N. Mateljevic and J. C. Tully, Abstracts of Papers of the ACS 228: U251-U251, 340-PHYS Part 2 (2004). "Mixed quantum-classical equilibrium", P. V. Parandekar and J. C. Tully, J. Chem. Phys 122(9), 094102 (2005). "Ab initio Ehrenfest dynamics", X. S. Li, J. C. Tully, H. B. Schlegel and M. J. Frisch, J. Chem. Phys. 123(8), 084106 (2005). "Vibrational relaxation of NO on Au(111) via electron-hole pair generation" N. Shenvi, S. Roy, P. Parandekar, J. Tully, J. Chem. Phys. 125, 154703 (2006). "Path-integral simulations beyond the adiabatic approximation" J.R. Schmidt and J. C. Tully J. Chem. Phys. 127, 094103 (2007). "Efficient discretization of the continuum through complex contour deformation" N. Shenvi, J.R. Schmidt, S. T. Edwards, and J. C. Tully Phys. Rev. A 78, 022502 (2008). "Transition state barriers in multidimensional Marcus theory" J. Zwickl, N. Shenvi, J.R. Schmidt, and J. C. Tully J. Phys. Chem. A 112, 10570 (2008). "Controlling spin contamination using constrained density functional theory" J.R. Schmidt, N. Shenvi, and J. C. Tully J. Chem. Phys. 129, 114110 (2008). "Accommodation of Gases at Rough Surfaces" N. Mateljevic, J. Kerwin, S. Roy, J.R. Schmidt, J.C. Tully J. Chem. Phys. C 113, 2360-2367 (2009). "Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface" N. Shenvi(co-first author), S. Roy (co-first author), J. C. Tully. Science 326, 829-832 (2009). "Photochemistry of DNA Fragments Via Semiclassical Nonadiabatic Dynamics" A. Alexandrova, J. Tully, G. Granucci. Biophysical Journal 98, 43a (2010).