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John Charles Tully - Publications

Affiliations: 
Yale University, New Haven, CT 
Area:
chemical dynamics
Website:
http://www.chem.yale.edu/faculty/tully.html
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165 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Tully JC. Two-state model of energy dissipation at metal surfaces. The Journal of Chemical Physics. 160. PMID 38551178 DOI: 10.1063/5.0196261  0.326
2021 Zhao L, Wildman A, Pavošević F, Tully JC, Hammes-Schiffer S, Li X. Correction to "Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics". The Journal of Physical Chemistry Letters. 4483. PMID 33956456 DOI: 10.1021/acs.jpclett.1c01444  0.574
2021 Zhao L, Wildman A, Pavošević F, Tully JC, Hammes-Schiffer S, Li X. Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics. The Journal of Physical Chemistry Letters. 3497-3502. PMID 33792317 DOI: 10.1021/acs.jpclett.1c00564  0.618
2017 Askerka M, Maurer RJ, Batista VS, Tully JC. Erratum: Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces [Phys. Rev. Lett. 116, 217601 (2016)]. Physical Review Letters. 119: 069901. PMID 28949608 DOI: 10.1103/Physrevlett.119.069901  0.79
2017 Maurer RJ, Jiang B, Guo H, Tully JC. Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H_{2} on Ag(111). Physical Review Letters. 118: 256001. PMID 28696728 DOI: 10.1103/Physrevlett.118.256001  0.693
2017 Guo Y, Hendrickson HP, Videla PE, Chen YN, Ho J, Sekharan S, Batista VS, Tully JC, Yan ECY. Probing the remarkable thermal kinetics of visual rhodopsin with E181Q and S186A mutants. The Journal of Chemical Physics. 146: 215104. PMID 28595408 DOI: 10.1063/1.4984818  0.481
2016 Stöhr M, Michelitsch GS, Tully JC, Reuter K, Maurer RJ. Communication: Charge-population based dispersion interactions for molecules and materials. The Journal of Chemical Physics. 144: 151101. PMID 27389199 DOI: 10.1063/1.4947214  0.705
2016 Askerka M, Maurer RJ, Batista VS, Tully JC. Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces. Physical Review Letters. 116: 217601. PMID 27284673 DOI: 10.1103/Physrevlett.116.217601  0.82
2016 Maurer RJ, Askerka M, Batista VS, Tully JC. Ab initiotensorial electronic friction for molecules on metal surfaces: Nonadiabatic vibrational relaxation Physical Review B. 94. DOI: 10.1103/Physrevb.94.115432  0.812
2015 Ertem MZ, Kharche N, Batista VS, Hybertsen MS, Tully JC, Muckerman JT. Photoinduced Water Oxidation at the Aqueous GaN (101¯0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step Acs Catalysis. 5: 2317-2323. DOI: 10.1021/Acscatal.5B00054  0.708
2015 Krüger BC, Bartels N, Bartels C, Kandratsenka A, Tully JC, Wodtke AM, Schäfer T. NO vibrational energy transfer on a metal surface: Still a challenge to first-principles theory Journal of Physical Chemistry C. 119: 3268-3272. DOI: 10.1021/Acs.Jpcc.5B00388  0.447
2014 Guo Y, Sekharan S, Liu J, Batista VS, Tully JC, Yan EC. Unusual kinetics of thermal decay of dim-light photoreceptors in vertebrate vision. Proceedings of the National Academy of Sciences of the United States of America. 111: 10438-43. PMID 25002518 DOI: 10.1073/Pnas.1410826111  0.49
2013 Evangelista FA, Shushkov P, Tully JC. Orthogonality constrained density functional theory for electronic excited states. The Journal of Physical Chemistry. A. 117: 7378-92. PMID 23590595 DOI: 10.1021/Jp401323D  0.772
2013 Safron SA, Weinstein ND, Herschbach DR, Tully JC. Reprint of: Transition state theory for collision complexes: Product translational energy distributions Chemical Physics Letters. 589: 9-11. DOI: 10.1016/J.Cplett.2013.08.058  0.556
2013 Safron SA, Weinstein ND, Herschbach DR, Tully JC. Historical perspective on: Transition state theory for collision complexes: Product translational energy distributions [Volume 12, Issue 4, 15 January 1972, Pages 564-568] Chemical Physics Letters. 589: 7-8. DOI: 10.1016/j.cplett.2013.08.038  0.481
2012 Shushkov P, Li R, Tully JC. Ring polymer molecular dynamics with surface hopping. The Journal of Chemical Physics. 137: 22A549. PMID 23249086 DOI: 10.1063/1.4766449  0.787
2012 Tully JC. Perspective: Nonadiabatic dynamics theory. The Journal of Chemical Physics. 137: 22A301. PMID 23249037 DOI: 10.1063/1.4757762  0.401
2012 Shenvi N, Tully JC. Nonadiabatic dynamics at metal surfaces: independent electron surface hopping with phonon and electron thermostats. Faraday Discussions. 157: 325-35; discussion 3. PMID 23230776 DOI: 10.1039/C2Fd20032E  0.438
2012 Edwards ST, Johnson MA, Tully JC. Vibrational Fano resonances in dipole-bound anions. The Journal of Chemical Physics. 136: 154305. PMID 22519324 DOI: 10.1063/1.3698587  0.643
2012 Cooper R, Bartels C, Kandratsenka A, Rahinov I, Shenvi N, Golibrzuch K, Li Z, Auerbach DJ, Tully JC, Wodtke AM. Multiquantum vibrational excitation of NO scattered from Au(111): quantitative comparison of benchmark data to ab initio theories of nonadiabatic molecule-surface interactions. Angewandte Chemie (International Ed. in English). 51: 4954-8. PMID 22488975 DOI: 10.1002/Anie.201201168  0.418
2012 Edwards ST, Tully JC, Johnson MA. Vibrational Fano resonances in the photodetachment of dipole-bound anions Journal of Physics: Conference Series. 388. DOI: 10.1088/1742-6596/388/2/022014  0.567
2011 Izmaylov AF, Mendive-Tapia D, Bearpark MJ, Robb MA, Tully JC, Frisch MJ. Nonequilibrium Fermi golden rule for electronic transitions through conical intersections. The Journal of Chemical Physics. 135: 234106. PMID 22191863 DOI: 10.1063/1.3667203  0.383
2011 Steele RP, Tully JC. A tiered approach to Monte Carlo sampling with self-consistent field potentials. The Journal of Chemical Physics. 135: 184107. PMID 22088052 DOI: 10.1063/1.3660224  0.675
2011 Steele RP, Zwickl J, Shushkov P, Tully JC. Mixed time slicing in path integral simulations. The Journal of Chemical Physics. 134: 074112. PMID 21341833 DOI: 10.1063/1.3518714  0.75
2010 Steele RP, Head-Gordon M, Tully JC. Ab initio molecular dynamics with dual basis set methods. The Journal of Physical Chemistry. A. 114: 11853-60. PMID 20939545 DOI: 10.1021/Jp107342G  0.736
2010 Alexandrova AN, Tully JC, Granucci G. Photochemistry of DNA fragments via semiclassical nonadiabatic dynamics. The Journal of Physical Chemistry. B. 114: 12116-28. PMID 20795696 DOI: 10.1021/Jp103322C  0.632
2010 Steele RP, Tully JC. Accelerated ab initio molecular dynamics with response equation extrapolation Chemical Physics Letters. 500: 167-171. DOI: 10.1016/J.Cplett.2010.10.003  0.682
2009 Shenvi N, Roy S, Tully JC. Dynamical steering and electronic excitation in NO scattering from a gold surface. Science (New York, N.Y.). 326: 829-32. PMID 19892977 DOI: 10.1126/Science.1179240  0.645
2009 Roy S, Shenvi NA, Tully JC. Model Hamiltonian for the interaction of NO with the Au(111) surface. The Journal of Chemical Physics. 130: 174716. PMID 19425807 DOI: 10.1063/1.3122989  0.636
2009 Shenvi N, Roy S, Tully JC. Nonadiabatic dynamics at metal surfaces: independent-electron surface hopping. The Journal of Chemical Physics. 130: 174107. PMID 19425769 DOI: 10.1063/1.3125436  0.642
2009 Roy S, Shenvi N, Tully JC. Dynamics of open-shell species at metal surfaces Journal of Physical Chemistry C. 113: 16311-16320. DOI: 10.1021/Jp811393W  0.612
2009 Mateljevic N, Kerwin J, Roy S, Schmidt JR, Tully JC. Accommodation of gases at rough surfaces Journal of Physical Chemistry C. 113: 2360-2367. DOI: 10.1021/Jp8077634  0.771
2008 Schmidt JR, Shenvi N, Tully JC. Controlling spin contamination using constrained density functional theory. The Journal of Chemical Physics. 129: 114110. PMID 19044953 DOI: 10.1063/1.2978168  0.554
2008 Zwickl J, Shenvi N, Schmidt JR, Tully JC. Transition state barriers in multidimensional Marcus theory. The Journal of Physical Chemistry. A. 112: 10570-9. PMID 18826200 DOI: 10.1021/Jp805065G  0.775
2008 Schmidt JR, Parandekar PV, Tully JC. Mixed quantum-classical equilibrium: Surface hopping. The Journal of Chemical Physics. 129: 044104. PMID 18681631 DOI: 10.1063/1.2955564  0.807
2008 Shenvi N, Schmidt JR, Edwards ST, Tully JC. Efficient discretization of the continuum through complex contour deformation Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/Physreva.78.022502  0.681
2007 Cheng H, Shenvi N, Tully JC. Semiclassical dynamics of electron transfer at metal surfaces. Physical Review Letters. 99: 053201. PMID 17930749 DOI: 10.1103/Physrevlett.99.053201  0.61
2007 Schmidt JR, Tully JC. Path-integral simulations beyond the adiabatic approximation. The Journal of Chemical Physics. 127: 094103. PMID 17824728 DOI: 10.1063/1.2757170  0.612
2007 Isborn CM, Li X, Tully JC. Time-dependent density functional theory Ehrenfest dynamics: collisions between atomic oxygen and graphite clusters. The Journal of Chemical Physics. 126: 134307. PMID 17430032 DOI: 10.1063/1.2713391  0.713
2007 Cheng H, Shenvi N, Tully JC. Publisher’s Note: Semiclassical Dynamics of Electron Transfer at Metal Surfaces [Phys. Rev. Lett.99, 053201 (2007)] Physical Review Letters. 99. DOI: 10.1103/Physrevlett.99.069903  0.591
2007 Li X, Tully JC. Ab initio time-resolved density functional theory for lifetimes of excited adsorbate states at metal surfaces Chemical Physics Letters. 439: 199-203. DOI: 10.1016/J.Cplett.2007.03.041  0.545
2006 Parandekar PV, Tully JC. Detailed Balance in Ehrenfest Mixed Quantum-Classical Dynamics. Journal of Chemical Theory and Computation. 2: 229-35. PMID 26626509 DOI: 10.1021/Ct050213K  0.783
2006 Shenvi N, Roy S, Parandekar P, Tully J. Vibrational relaxation of NO on Au(111) via electron-hole pair generation. The Journal of Chemical Physics. 125: 154703. PMID 17059279 DOI: 10.1063/1.2357740  0.804
2006 Krishna V, Tully JC. Vibrational lifetimes of molecular adsorbates on metal surfaces. The Journal of Chemical Physics. 125: 054706. PMID 16942240 DOI: 10.1063/1.2227383  0.594
2006 Tully JC. Chemistry. Mode-selective control of surface reactions. Science (New York, N.Y.). 312: 1004-5. PMID 16709771 DOI: 10.1126/Science.1126341  0.319
2006 Shenvi N, Cheng H, Tully JC. Nonadiabatic dynamics near metal surfaces: Decoupling quantum equations of motion in the wide-band limit Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/Physreva.74.062902  0.601
2006 Parandekar PV, Tully JC. Detailed balance in ehrenfest mixed quantum-classical dynamics Journal of Chemical Theory and Computation. 2: 229-235. DOI: 10.1021/ct050213k  0.755
2005 Li X, Tully JC, Schlegel HB, Frisch MJ. Ab initio Ehrenfest dynamics. The Journal of Chemical Physics. 123: 084106. PMID 16164281 DOI: 10.1063/1.2008258  0.643
2005 Parandekar PV, Tully JC. Mixed quantum-classical equilibrium. The Journal of Chemical Physics. 122: 094102. PMID 15836107 DOI: 10.1063/1.1856460  0.788
2004 Yan T, Hase WL, Tully JC. A washboard with moment of inertia model of gas-surface scattering. The Journal of Chemical Physics. 120: 1031-43. PMID 15267940 DOI: 10.1063/1.1628674  0.413
2004 Wodtke AM, Tully JC, Auerbach DJ. Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born-Oppenheimer approximation for surface chemistry? International Reviews in Physical Chemistry. 23: 513-539. DOI: 10.1080/01442350500037521  0.427
2004 Tully JC. Concluding remarks: Non-adiabatic effects in chemical dynamics Faraday Discussions. 127: 463-466. DOI: 10.1039/B406773H  0.3
2003 Corcelli SA, Rahman JA, Tully JC. Efficient thermal rate constant calculation for rare event systems Journal of Chemical Physics. 118: 1085-1088. DOI: 10.1063/1.1529192  0.766
2002 Rahman JA, Tully JC. Puddle-skimming: An efficient sampling of multidimensional configuration space Journal of Chemical Physics. 116: 8750-8760. DOI: 10.1063/1.1469605  0.786
2002 Corcelli SA, Tully JC. Vibrational energy pooling in CO on NaCL(100): Simulation and isotope effects Journal of Physical Chemistry A. 106: 10849-10860. DOI: 10.1021/Jp0205012  0.387
2002 Corcelli SA, Kelley JA, Tully JC, Johnson MA. Infrared characterization of the icosahedral shell closing in Cl-·H2O·Arn (1 ≤ n ≤ 13) clusters Journal of Physical Chemistry A. 106: 4872-4879. DOI: 10.1021/Jp013956K  0.316
2002 Rahman JA, Tully JC. Puddle-jumping: A flexible sampling algorithm for rare event systems Chemical Physics. 285: 277-287. DOI: 10.1016/S0301-0104(02)00837-6  0.72
2001 Kindt JT, Tully JC. Dynamical corrugation: Simulations of the sticking of CO on Cu(1 0 0) Surface Science. 477: 149-162. DOI: 10.1016/S0039-6028(00)01111-0  0.391
2000 Tully JC. Chemical dynamics at metal surfaces. Annual Review of Physical Chemistry. 51: 153-78. PMID 11031279 DOI: 10.1146/Annurev.Physchem.51.1.153  0.448
2000 Burant JC, Tully JC. Nonadiabatic dynamics via the classical limit Schrödinger equation Journal of Chemical Physics. 112: 6097-6103. DOI: 10.1063/1.481211  0.802
2000 LaBerge LJ, Tully JC. A rigorous procedure for combining molecular dynamics and Monte Carlo simulation algorithms Chemical Physics. 260: 183-191. DOI: 10.1016/S0301-0104(00)00246-9  0.748
1999 Kindt JT, Tully JC. Simulations of collision-induced absorption of hydrogen on Ni(111) Journal of Chemical Physics. 111: 11060-11069. DOI: 10.1063/1.480493  0.349
1999 Prezhdo OV, Kindt JT, Tully JC. Perturbed ground state method for electron transfer Journal of Chemical Physics. 111: 7818-7827. DOI: 10.1063/1.480117  0.374
1999 Prezhdo OV, Kindt JT, Tully JC. Perturbed ground state method for electron transfer The Journal of Chemical Physics. 111: 7818-7827. DOI: 10.1063/1.480117  0.425
1998 Sholl DS, Tully JC. A generalized surface hopping method Journal of Chemical Physics. 109: 7702-7710. DOI: 10.1063/1.477416  0.575
1998 Kohen D, Stillinger FH, Tully JC. Model studies of nonadiabatic dynamics Journal of Chemical Physics. 109: 4713-4725. DOI: 10.1063/1.477083  0.389
1998 Kindt JT, Tully JC, Head-Gordon M, Gomez MA. Electron-hole pair contributions to scattering, sticking, and surface diffusion: CO on Cu(100) Journal of Chemical Physics. 109: 3629-3636. DOI: 10.1063/1.476960  0.558
1998 Tully JC. Mixed quantum–classical dynamics Faraday Discussions. 110: 407-419. DOI: 10.1039/A801824C  0.408
1998 Kohen D, Tully JC, Stillinger FH. Modeling the interaction of hydrogen with silicon surfaces Surface Science. 397: 225-236. DOI: 10.1016/S0039-6028(97)00739-5  0.37
1996 Stinnett JA, Madix RJ, Tully JC. Stochastic simulations of the trapping of ethane on Pt(111) from a realistic potential: The roles of energy transfer processes and surface corrugation Journal of Chemical Physics. 104: 3134-3142. DOI: 10.1063/1.471078  0.423
1996 Rettner CT, Auerbach DJ, Tully JC, Kleyn AW. Chemical dynamics at the gas-surface interface The Journal of Physical Chemistry®. 100: 13021-13033. DOI: 10.1021/Jp9536007  0.393
1995 Hammes-Schiffer S, Tully JC. Nonadiabatic transition state theory and multiple potential energy surface molecular dynamics of infrequent events The Journal of Chemical Physics. 103: 8513-8527. DOI: 10.1063/1.470162  0.444
1995 Head-Gordon M, Tully JC. Molecular dynamics with electronic frictions The Journal of Chemical Physics. 103: 10137-10145. DOI: 10.1063/1.469915  0.415
1995 Hammes-Schiffer S, Tully JC. Vibrationally enhanced proton transfer Journal of Physical Chemistry. 99: 5793-5797. DOI: 10.1021/J100016A011  0.454
1994 Masson DP, Hanisco TF, Nichols WL, Yan C, Kummel AC, Tully JC. Correlations between angular momentum orientation and exit velocity in gas-surface scattering: A probe of the dependence of collision dynamics on the position of impact The Journal of Chemical Physics. 101: 3341-3352. DOI: 10.1063/1.467582  0.34
1994 Hammes-Schiffer S, Tully JC. Proton transfer in solution: Molecular dynamics with quantum transitions The Journal of Chemical Physics. 101: 4657-4667. DOI: 10.1063/1.467455  0.399
1994 Tully JC. The dynamics of adsorption and desorption Surface Science. 299: 667-677. DOI: 10.1016/0039-6028(94)90688-2  0.381
1994 Springer C, Head-Gordon M, Tully JC. Simulations of femtosecond laser-induced desorption of CO from Cu(100) Surface Science. 320: L57-L62. DOI: 10.1016/0039-6028(94)00569-9  0.544
1993 CHABAL Y, HARRIS A, RAGHAVACHARI K, TULLY J. INFRARED SPECTROSCOPY OF H-TERMINATED SILICON SURFACES International Journal of Modern Physics B. 7: 1031-1078. DOI: 10.1142/S0217979293002237  0.35
1993 Tully JC, Gomez M, Head-Gordon M. Electronic and Phonon Mechanisms of Vibrational Relaxation: CO on Cu(100) Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 11: 1914-1920. DOI: 10.1116/1.578522  0.508
1993 Head-Gordon M, Tully JC. Electric field effects on chemisorption and vibrational relaxation of CO on Cu(100) Chemical Physics. 175: 37-51. DOI: 10.1016/0301-0104(93)80227-Z  0.47
1992 Head-Gordon M, Tully JC. Molecular-orbital calculations of the lifetimes of the vibrational modes of CO on Cu(100). Physical Review. B, Condensed Matter. 46: 1853-1856. PMID 10003840 DOI: 10.1103/Physrevb.46.1853  0.543
1992 Head-Gordon M, Tully JC. Vibrational relaxation on metal surfaces: Molecular-orbital theory and application to CO/Cu(100) The Journal of Chemical Physics. 96: 3939-3949. DOI: 10.1063/1.461896  0.39
1992 Head-Gordon M, Tully JC. Competition between static and dynamical effects in adsorption: sticking of Ar on Ar-covered Ru(001) Surface Science. 268: 113-126. DOI: 10.1016/0039-6028(92)90954-5  0.552
1991 Head-Gordon M, Tully JC, Schlichting H, Menzel D. The coverage dependence of the sticking probability of Ar on Ru(001) The Journal of Chemical Physics. 95: 9266-9276. DOI: 10.1063/1.461207  0.419
1991 Head-Gordon M, Tully JC, Rettner CT, Mullins CB, Auerbach DJ. On the nature of trapping and desorption at high surface temperatures. Theory and experiments for the Ar-Pt(111) system The Journal of Chemical Physics. 94: 1516-1527. DOI: 10.1063/1.460695  0.365
1991 Doren DJ, Tully JC. Dynamics of precursor-mediated chemisorption The Journal of Chemical Physics. 94: 8428-8440. DOI: 10.1063/1.460076  0.67
1991 Tully JC. Chemical dynamics at surfaces Catalysis Letters. 9: 205-217. DOI: 10.1007/Bf00773179  0.373
1991 Tully JC. Nonadiabatic molecular dynamics International Journal of Quantum Chemistry. 40: 299-309. DOI: 10.1002/Qua.560400830  0.403
1990 Nordlander P, Tully JC. Energy shifts and broadening of atomic levels near metal surfaces. Physical Review. B, Condensed Matter. 42: 5564-5578. PMID 9996140 DOI: 10.1103/Physrevb.42.5564  0.377
1990 Tully JC. Molecular dynamics with electronic transitions The Journal of Chemical Physics. 93: 1061-1071. DOI: 10.1063/1.459170  0.443
1990 Tully JC. Washboard model of gas-surface scattering The Journal of Chemical Physics. 92: 680-686. DOI: 10.1063/1.458421  0.38
1990 Tully JC. Dynamics at surfaces Journal of Electron Spectroscopy and Related Phenomena. 54: 1-4. DOI: 10.1016/0368-2048(90)80195-G  0.369
1990 Arumainayagam CR, Madix RJ, Mcmaster MC, Suzawa VM, Tully JC. Trapping dynamics of xenon on Pt(111) Surface Science. 226: 180-190. DOI: 10.1016/0039-6028(90)90164-4  0.394
1989 Kummel AC, Sitz GO, Zare RN, Tully JC. Direct inelastic scattering of N2 from Ag(111). IV. Scattering from high temperature surface Journal of Chemical Physics. 91: 5793-5801. DOI: 10.1063/1.457532  0.323
1989 Xu GQ, Holland RJ, Bernasek SL, Tully JC. Dynamics of cluster scattering from surfaces The Journal of Chemical Physics. 90: 3831-3837. DOI: 10.1063/1.456662  0.345
1989 Nordlander P, Tully JC. Lifetimes of excited atoms near metal surfaces Surface Science. 211: 207-217. DOI: 10.1016/0167-2584(89)90320-4  0.386
1989 Russell DP, Albridge RG, Barnes AV, Harper DL, Nordlander P, Savundararaj PM, Tolk NH, Tully JC. Dependence of alignment and orientation induced by grazing-incidence and beam-foil electron-exchange interactions on surface electronic structure Surface Science. 211: 198-206. DOI: 10.1016/0039-6028(89)90771-1  0.398
1989 Estrup PJ, Robinson IK, Tully JC. The discrepancy between helium and electron/X-ray diffraction from the W(001) surface Surface Science. 215: L297-L306. DOI: 10.1016/0039-6028(89)90695-X  0.315
1988 Nordlander P, Tully JC. Energy shifts and broadening of excited hydrogen-atom levels in the vicinity of a metal surface. Physical Review Letters. 61: 990-993. PMID 10039486 DOI: 10.1103/Physrevlett.61.990  0.38
1988 Brown JK, Harris CB, Tully JC. Studies of chemical reactivity in the condensed phase. IV. Density dependent molecular dynamics simulations of vibrational relaxation in simple liquids The Journal of Chemical Physics. 89: 6687-6696. DOI: 10.1063/1.455341  0.387
1988 Kummel AC, Sitz GO, Zare RN, Tully JC. Direct inelastic scattering of N2 from Ag(111). III. Normal incident N2 Journal of Chemical Physics. 89: 6947-6955. DOI: 10.1063/1.455320  0.358
1988 Sitz GO, Kummel AC, Zare RN, Tully JC. Direct inelastic scattering of N2 from Ag(111). II. Orientation Journal of Chemical Physics. 89: 2572-2582. DOI: 10.1063/1.455052  0.31
1988 Xu GQ, Bernasek SL, Tully JC. Stochastic trajectory studies of small argon cluster scattering from Pt(111) The Journal of Chemical Physics. 88: 3376-3384. DOI: 10.1063/1.453933  0.371
1988 Doren DJ, Tully JC. Precursor-mediated adsorption and desorption: A theoretical analysis Langmuir. 4: 256-268.  0.529
1987 Rettner CT, Kimman J, Fabre F, Auerbach DJ, Barker JA, Tully JC. Dynamics of gas-surface energy transfer: Inelastic scattering of NO from Ag(111) Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 5: 508-512. DOI: 10.1116/1.574702  0.391
1987 Lim C, Tully JC, Amirav A, Trevor P, Cardillo MJ. Trajectory studies of hyperthermal Xe scattering from GaAs(110) The Journal of Chemical Physics. 87: 1808-1816. DOI: 10.1063/1.453193  0.417
1987 Amirav A, Cardillo MJ, Trevor PL, Lim C, Tully JC. Atom-surface scattering dynamics at hyperthermal energies The Journal of Chemical Physics. 87: 1796-1807. DOI: 10.1063/1.453192  0.415
1987 Tully JC. Stochastic trajectory simulations of vibrational energy flow at surfaces Journal of Electron Spectroscopy and Related Phenomena. 45: 381-389. DOI: 10.1016/0368-2048(87)80084-1  0.412
1986 Lim C, Tully JC. Molecular dynamics of nonequilibrium infrequent events: Laser-induced desorption from surfaces The Journal of Chemical Physics. 85: 7423-7433. DOI: 10.1063/1.451331  0.342
1986 Brako R, Newns DM, Tolk NH, Tully JC, Morris RJ. Formation of excited states of hydrogen atoms scattered from metal surfaces Physics Letters A. 114: 327-330. DOI: 10.1016/0375-9601(86)90570-0  0.363
1985 Tully JC. Summary Abstract: The dynamics of energy flow at surfaces Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 3: 1664-1665. DOI: 10.1116/1.573035  0.355
1985 Muhlhausen CW, Williams LR, Tully JC. Dynamics of gas-surface interactions: Scattering and desorption of NO from Ag(111) and Pt(111) The Journal of Chemical Physics. 83: 2594-2606. DOI: 10.1063/1.449253  0.396
1984 Tully JC, Cardillo MJ. Dynamics of molecular motion at single-crystal surfaces. Science (New York, N.Y.). 223: 445-50. PMID 17781430 DOI: 10.1126/Science.223.4635.445  0.346
1984 Lucchese RR, Tully JC. Laser induced thermal desorption from surfaces The Journal of Chemical Physics. 81: 6313-6319. DOI: 10.1063/1.447540  0.373
1984 Lucchese RR, Tully JC. Trajectory studies of vibrational energy transfer in gas-surface collisions The Journal of Chemical Physics. 80: 3451-3462. DOI: 10.1063/1.447101  0.406
1984 Tolk NH, Bucksbaum P, Gershenfeld N, Kraus JS, Morris RJ, Murnick DE, Tully JC, Daniels RR, Margaritondo G, Stoffel NG. Desorption induced by electronic transitions Nuclear Inst. and Methods in Physics Research, B. 2: 457-460. DOI: 10.1016/0168-583X(84)90243-X  0.359
1984 Lucchese RR, Tully JC. Trajectory studies of rainbow scattering from the reconstructed Si(100) surface Surface Science. 137: 570-594. DOI: 10.1016/0167-2584(84)90888-0  0.348
1983 Serri JA, Tully JC, Cardillo MJ. The influence of steps on the desorption kinetics of NO from Pt(111) The Journal of Chemical Physics. 79: 1530-1540. DOI: 10.1063/1.445946  0.325
1983 Nitzan A, Tully JC. Stochastic classical trajectory approach to relaxation phenomena. III. Comparison of trajectory results to quantum mechanical perturbation theory The Journal of Chemical Physics. 78: 3959-3963. DOI: 10.1063/1.445120  0.382
1982 Pian TR, Tolk N, Kraus J, Traum MM, Tully J, Collins WE. Electron stimulated desorption of excited alkali atoms from alkali halide surfaces Journal of Vacuum Science and Technology. 20: 555-558. DOI: 10.1116/1.571431  0.353
1982 Truhlar DG, Duff JW, Blais NC, Tully JC, Garrett BC. The quenching of Na(3 2P) by H2: Interactions and dynamics The Journal of Chemical Physics. 77: 764-776. DOI: 10.1063/1.443893  0.394
1982 Tolk NH, Tully JC, Feldman LC, Kraus JS, Niv Y, Temmer GM, Hass M. The creation of excited hydrogenic states near surfaces Nuclear Instruments and Methods in Physics Research. 202: 247-251. DOI: 10.1016/0167-5087(82)90402-1  0.325
1982 Muhlhausen CW, Serri JA, Tully JC, Becker GE, Cardillo MJ. Scattering of N2from Ag(001) Israel Journal of Chemistry. 22: 315-320. DOI: 10.1002/Ijch.198200061  0.384
1981 Grimmelmann EK, Tully JC, Helfand E. Molecular dynamics of infrequent events: Thermal desorption of xenon from a platinum surface The Journal of Chemical Physics. 74: 5300-5310. DOI: 10.1063/1.441696  0.371
1981 Tully JC. Dynamics of chemical processes at surfaces Accounts of Chemical Research. 14: 188-194. DOI: 10.1021/Ar00066A004  0.332
1981 Tully JC. Computer simulation of the dynamics of chemical processes Computers and Chemistry. 5: 159-165. DOI: 10.1016/0097-8485(81)80103-9  0.329
1981 Tully JC. Dynamics of gas-surface interactions: Thermal desorption of Ar and Xe from platinum Surface Science. 111: 461-478. DOI: 10.1016/0039-6028(81)90402-7  0.434
1980 Tully JC. Theories of the Dynamics of Inelastic and Reactive Processes at Surfaces Annual Review of Physical Chemistry. 31: 319-343. DOI: 10.1146/Annurev.Pc.31.100180.001535  0.419
1980 Tully JC. Dynamics of gas-surface interactions: 3D generalized Langevin model applied to fcc and bcc surfaces The Journal of Chemical Physics. 73: 1975-1985. DOI: 10.1063/1.440287  0.382
1980 Tully JC. Dynamics of gas-surface interactions: Reaction of atomic oxygen with adsorbed carbon on platinum The Journal of Chemical Physics. 73: 6333-6342. DOI: 10.1063/1.440097  0.38
1980 Grimmelmann EK, Tully JC, Cardillo MJ. Hard-cube model analysis of gas-surface energy accommodation The Journal of Chemical Physics. 72: 1039-1043. DOI: 10.1063/1.439271  0.363
1979 Tully JC, Gilmer GH, Shugard M. Molecular dynamics of surface diffusion. I. The motion of adatoms and clusters The Journal of Chemical Physics. 71: 1630-1642. DOI: 10.1063/1.438490  0.349
1979 Tolk NH, Tully JC, Kraus JS, Heiland W, Neff SH. Elliptic polarization from grazing-incidence collisions of hydrogen ions on polycrystalleve and single-crystal surfaces Surface Science. 90: 447-460. DOI: 10.1016/0039-6028(79)90355-8  0.341
1978 Tolk NH, Tully JC, Kraus JS, Heiland W, Neff SH. Elliptic polarization of balmer radiation from low-energy grazing-incidence collisions of hydrogen ions on surfaces Physical Review Letters. 41: 643-646. DOI: 10.1103/Physrevlett.41.643  0.335
1978 Leung SY, Tolk NH, Heiland W, Tully JC, Kraus JS, Hill P. Optical radiation from low-energy hydrogen atomic and molecular ion-surface collisions Physical Review A. 18: 447-451. DOI: 10.1103/Physreva.18.447  0.37
1978 Shugard M, Tully JC, Nitzan A. Stochastic classical trajectory approach to relaxation phenomena. I. Vibrational relaxation of impurity molecules in solid matrices The Journal of Chemical Physics. 69: 336-345. DOI: 10.1063/1.436358  0.332
1977 Tully JC. Neutralization of ions at surfaces Physical Review B. 16: 4324-4334. DOI: 10.1103/Physrevb.16.4324  0.388
1976 Tolk NH, Tully JC, Kraus J, White CW, Neff SH. Angular dependence of oscillatory structure in low-energy ion-surface scattering Physical Review Letters. 36: 747-750. DOI: 10.1103/Physrevlett.36.747  0.35
1976 Tolk NH, Tully JC, White CW, Kraus J, Monge AA, Simms DL, Robbins MF, Neff SH, Lichten W. Quantum-mechanical phase interference and optical polarization in low-energy Na+-Ne inelastic collisions Physical Review A. 13: 969-984. DOI: 10.1103/Physreva.13.969  0.323
1976 Shugard M, Tully JC, Nitzan A. Dynamics of gas-solid interactions: Calculations of energy transfer and sticking The Journal of Chemical Physics. 66: 2534-2544. DOI: 10.1063/1.434249  0.448
1976 Tully JC, Truesdale CM. Diatomics‐in‐molecules potential energy surfaces. III. Non‐Hermitian formulation Journal of Chemical Physics. 65: 1002-1007. DOI: 10.1063/1.433175  0.376
1976 Tully JC. Calculation of one‐ and two‐electron molecular properties by the method of diatomics‐in‐molecules Journal of Chemical Physics. 64: 3182-3184. DOI: 10.1063/1.432655  0.31
1976 Krenos JR, Lehmann KK, Tully JC, Hierl PM, Smith GP. Crossed-beam study of the reactions of H+ 2 with D2 and D+ 2 with H2 Chemical Physics. 16: 109-116. DOI: 10.1016/0301-0104(76)89028-3  0.685
1975 Tolk NH, Tully JC, White CW, Kraus J, Monge AA, Neff SH. Quasimolecular states responsible for quantum-mechanical phase interference in low-energy Na+-Ne inelastic collisions Physical Review Letters. 35: 1175-1178. DOI: 10.1103/Physrevlett.35.1175  0.37
1975 Krenos JR, Tully JC. Statistical partitioning of electronic energy: Reactions of alkali dimers with halogen atoms The Journal of Chemical Physics. 62: 420-424.  0.733
1974 Tully JC. Collision complex model for spin forbidden reactions: Quenching of O( 1D) by N2 The Journal of Chemical Physics. 61: 61-68. DOI: 10.1063/1.1681671  0.326
1974 Tully JC. Collisions of F(2P1/2) with H2 The Journal of Chemical Physics. 60: 3042-3050. DOI: 10.1063/1.1681488  0.304
1974 Krenos JR, Preston RK, Wolfgang R, Tully JC. Molecular beam and trajectory studies of reactions of H+ with H2 The Journal of Chemical Physics. 60: 1619-1623. DOI: 10.1063/1.1681242  0.791
1973 Tully JC. Diatomics‐in‐molecules potential energy surfaces. II. Nonadiabatic and spin‐orbit interactions Journal of Chemical Physics. 59: 5122-5134. DOI: 10.1063/1.1680731  0.395
1973 Tully JC. Diatomics‐in‐molecules potential energy surfaces. I. First‐row triatomic hydrides Journal of Chemical Physics. 58: 1396-1410. DOI: 10.1063/1.1679372  0.429
1973 Tully JC. Trajectories in Ion‐Molecule Reactions Cheminform. 77: 557-565. DOI: 10.1002/Bbpc.19730770804  0.367
1972 Lee A, Leroy RL, Herman Z, Wolfgang R, Tully JC. Beam studies of energy and lifetime dependence of unimolecular decay: the extent of internal equilibration Chemical Physics Letters. 12: 569-573. DOI: 10.1016/0009-2614(72)80010-1  0.588
1972 Safron SA, Weinstein ND, Herschbach DR, Tully JC. Transition state theory for collision complexes: product translational energy distributions Chemical Physics Letters. 12: 564-568. DOI: 10.1016/0009-2614(72)80009-5  0.556
1971 Tully JC, Pkeston RK. Trajectory surface hopping approach to nonadiabatic molecular collisions: The reaction of H+ with D2 The Journal of Chemical Physics. 55: 562-572. DOI: 10.1063/1.1675788  0.414
1971 Tully JC, Herman Z, Wolfgang R. Crossed‐Beam Study of the Reaction N++O2→NO++O The Journal of Chemical Physics. 54: 1730-1737. DOI: 10.1063/1.1675080  0.607
1971 Preston RK, Tully JC. Effects of surface crossing in chemical reactions - The H3 system Journal of Chemical Physics. 54: 4297-4304. DOI: 10.1063/1.1674676  0.39
1971 Krenos J, Preston R, Wolfgang R, Tully J. Reaction of hydrogen atomic ions with hydrogen molecules: Experiment, ab initio theory and a conceptual model Chemical Physics Letters. 10: 17-21. DOI: 10.1016/0009-2614(71)80145-8  0.779
1971 Tully JC, Herman Z, Wolfgang R. Crossed-beam study of the reaction N+ +O2→ NO+ +O The Journal of Chemical Physics. 54: 1730-1737.  0.479
1971 Preston RK, Tully JC. Effects of surface crossing in chemical reactions: The H3 + system The Journal of Chemical Physics. 54: 4297-4304.  0.628
1969 Schneider B, Weinberg M, Tully J, Berry RS. Pseudopotential Method for Inelastic Processes in Atoms and Molecules. I. General Method and Photodetachment ofO− Physical Review. 182: 133-141. DOI: 10.1103/Physrev.182.133  0.649
1969 Tully JC. Many-electron pseudopotential formalism for atomic and molecular excited-state calculations Physical Review. 181: 7-22. DOI: 10.1103/Physrev.181.7  0.346
1969 Tully JC, Berry RS. Elastic Scattering of Low‐Energy Electrons by the Hydrogen Molecule The Journal of Chemical Physics. 51: 2056-2075. DOI: 10.1063/1.1672301  0.496
1968 Tully JC, Berry RS, Dalton BJ. Angular distribution of molecular photoelectrons Physical Review. 176: 95-105. DOI: 10.1103/Physrev.176.95  0.443
1968 Weinberg M, Stephen Berry R, Tully JC. Quantum defect method for linear molecules and e-H2 + scattering The Journal of Chemical Physics. 49: 211-216. DOI: 10.1063/1.1669796  0.595
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