John Charles Tully - Publications

Affiliations: 
Yale University, New Haven, CT 
Area:
chemical dynamics
Website:
http://www.chem.yale.edu/faculty/tully.html

184 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
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  0.76
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  0.68
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  0.76
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  0.68
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  0.76
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2012 Tully JC. Perspective: Nonadiabatic dynamics theory. The Journal of Chemical Physics. 137: 22A301. PMID 23249037 DOI: 10.1063/1.4757762  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2010 Noorduin WL, van Enckevort WJ, Meekes H, Kaptein B, Kellogg RM, Tully JC, McBride JM, Vlieg E. The driving mechanism behind attrition-enhanced deracemization. Angewandte Chemie (International Ed. in English). 49: 8435-8. PMID 20859973 DOI: 10.1002/anie.201002036  1
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  1
2010 Tully J. Editorial: Crisp: The center for research on interface structures and phenomena, yale university Advanced Materials. 22: 2837. PMID 20684034 DOI: 10.1002/adma.201002099  1
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  1
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  1
2009 Izmaylov AF, Tully JC, Frisch MJ. Relativistic interactions in the radical pair model of magnetic field sense in CRY-1 protein of Arabidopsis thaliana. The Journal of Physical Chemistry. A. 113: 12276-84. PMID 19863135 DOI: 10.1021/jp900357f  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2008 McBride JM, Tully JC. Physical chemistry: did life grind to a start? Nature. 452: 161-2. PMID 18337809 DOI: 10.1038/452161a  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2005 Parandekar PV, Tully JC. Mixed quantum-classical equilibrium. The Journal of Chemical Physics. 122: 094102. PMID 15836107 DOI: 10.1063/1.1856460  1
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  1
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  1
2004 Tully JC. Concluding remarks: Non-adiabatic effects in chemical dynamics Faraday Discussions. 127: 463-466. DOI: 10.1039/b406773h  1
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  1
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  1
2002 Corcelli SA, Tully JC. Vibrational energy pooling in CO on NaCl(100): Methods Journal of Chemical Physics. 116: 8079-8092. DOI: 10.1063/1.1467056  1
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  1
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  1
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  1
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  1
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  1
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  1
2000 Burant JC, Tully JC. Nonadiabatic dynamics via the classical limit Schrödinger equation Journal of Chemical Physics. 112: 6097-6103.  1
2000 Tully JC. Perspective on "zur quantentheorie der molekeln" Theoretical Chemistry Accounts. 103: 173-176.  1
1999 Kindt JT, Tully JC. Simulations of collision-induced absorption of hydrogen on Ni(111) Journal of Chemical Physics. 111: 11060-11069.  1
1999 Prezhdo OV, Kindt JT, Tully JC. Perturbed ground state method for electron transfer Journal of Chemical Physics. 111: 7818-7827.  1
1998 Sholl DS, Tully JC. A generalized surface hopping method Journal of Chemical Physics. 109: 7702-7710. DOI: 10.1063/1.477416  1
1998 Kohen D, Stillinger FH, Tully JC. Model studies of nonadiabatic dynamics Journal of Chemical Physics. 109: 4713-4725. DOI: 10.1063/1.477083  1
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  1
1998 Tully JC. Mixed quantum-classical dynamics Faraday Discussions. 110: 407-419.  1
1998 Yao Y, Hargitai Z, Albert M, Albridge RG, Barnes AV, Gilligan JM, Ferguson BP, Lupke G, Gordon VD, Tolk NH, Tully JC, Betz G, Husinsky W. New molecular collisional interaction effect in low-energy sputtering Physical Review Letters. 81: 550-553.  1
1998 Kohen D, Tully JC, Stillinger FH. Modeling the interaction of hydrogen with silicon surfaces Surface Science. 397: 225-236.  1
1998 Tolk NH, Hargitai Z, Yao Y, Pratt-Ferguson B, Albert MM, Albridge RG, Barnes AV, Gilligan JM, Gordon VD, Lupke G, Puckett A, Tully J, Betz G, Husinsky W. Molecular effects in measured sputtering yields on gold at near threshold energies Izvestiya Akademii Nauk. Ser. Fizicheskaya. 62: 676-679.  1
1997 Tully JC. Mixed quantum-classical simulations of chemical dynamics at surfaces Acs Division of Petroleum Chemistry, Inc. Preprints. 42: 89-90.  1
1997 Sumetskii M, Tully JC, Patel SS, Korisch IA. Estimating the error of the FDTD method for complex inhomogeneous models Ieee Antennas and Propagation Society, Ap-S International Symposium (Digest). 1: 388-389.  1
1996 Rettner CT, Auerbach DJ, Tully JC, Kleyn AW. Chemical dynamics at the gas-surface interface The Journal of Physical Chemistry®. 100: 13021-13033.  1
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.  1
1996 Auerbach D, Barbara P, Flynn G, Ratner M, Setser D, Stechel E, Tully J. Dear readers The Journal of Physical Chemistry®. 100: 12693.  1
1995 Hammes-Schiffer S, Tully JC. Vibrationally enhanced proton transfer Journal of Physical Chemistry. 99: 5793-5797.  1
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.  1
1995 Head-Gordon M, Tully JC. Molecular dynamics with electronic frictions The Journal of Chemical Physics. 103: 10137-10145.  1
1994 Tully JC. The dynamics of adsorption and desorption Surface Science. 299: 667-677. DOI: 10.1016/0039-6028(94)90688-2  1
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  1
1994 Hammes-Schiffer S, Tully JC. Proton transfer in solution: Molecular dynamics with quantum transitions The Journal of Chemical Physics. 101: 4657-4667.  1
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.  1
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  1
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  1
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  1
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  1
1992 Murphy DW, Rosseinsky MJ, Fleming RM, Tycko R, Ramirez AP, Haddon RC, Siegrist T, Dabbagh G, Tully JC, Walstedt RE. Synthesis and characterization of alkali metal fullerides: AxC60 Journal of Physics and Chemistry of Solids. 53: 1321-1332. DOI: 10.1016/0022-3697(92)90230-B  1
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.  1
1991 Tycko R, Dabbagh G, Rosseinsky MJ, Murphy DW, Fleming RM, Ramirez AP, Tully JC. 13C NMR Spectroscopy of KxC60: Phase Separation, Molecular Dynamics, and Metallic Properties. Science (New York, N.Y.). 253: 884-6. PMID 17751823 DOI: 10.1126/science.253.5022.884  1
1991 Tully JC. Chemical dynamics at surfaces Catalysis Letters. 9: 205-217. DOI: 10.1007/BF00773179  1
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.  1
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.  1
1991 Doren DJ, Tully JC. Dynamics of precursor-mediated chemisorption The Journal of Chemical Physics. 94: 8428-8440.  1
1991 Fleming RM, Rosseinsky MJ, Ramirez AP, Murphy DW, Tully JC, Haddon RC, Siegrist T, Tycko R, Glarum SH, Marsh P, Dabbagh G, Zahurak SM, Makhija AV, Hampton C. Preparation and structure of the alkali-metal fulleride A4C60 Nature. 352: 701-703.  1
1990 Johnson PD, Viescas AJ, Nordlander P, Tully JC. Formation of excited hydrogen states in stimulated desorption from an alkali-promoted surface. Physical Review Letters. 64: 942-945. PMID 10042120 DOI: 10.1103/PhysRevLett.64.942  1
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  1
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  1
1990 Tully JC. Molecular dynamics with electronic transitions The Journal of Chemical Physics. 93: 1061-1071.  1
1990 Tully JC. Washboard model of gas-surface scattering The Journal of Chemical Physics. 92: 680-686.  1
1990 Tully JC. Dynamics at surfaces Journal of Electron Spectroscopy and Related Phenomena. 54: 1-4.  1
1989 Nordlander P, Tully JC. Lifetimes of excited atoms near metal surfaces Surface Science. 211: 207-217. DOI: 10.1016/0039-6028(89)90772-3  1
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  1
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  1
1989 Xu GQ, Holland RJ, Bernasek SL, Tully JC. Dynamics of cluster scattering from surfaces The Journal of Chemical Physics. 90: 3831-3837.  1
1989 Kummel AC, Sitz GO, Zare RN, Tully JC. Direct inelastic scattering of N2 from Ag(111). IV. Scattering from high temperature surface The Journal of Chemical Physics. 91: 5793-5801.  1
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  1
1988 Schlichting H, Menzel D, Brunner T, Brenig W, Tully JC. Quantum effects in the sticking of Ne on a flat metal surface. Physical Review Letters. 60: 2515-2518. PMID 10038374 DOI: 10.1103/PhysRevLett.60.2515  1
1988 Zinke-Allmang M, Feldman LC, Patel JR, Tully JC. The morphology of As terminated Si(111) from desorption kinetics Surface Science. 197: 1-10. DOI: 10.1016/0039-6028(88)90568-7  1
1988 Sitz GO, Kummel AC, Zare RN, Tully JC. Direct inelastic scattering of N2 from Ag(111). II. Orientation The Journal of Chemical Physics. 89: 2572-2582.  1
1988 Kummel AC, Sitz GO, Zare RN, Tully JC. Direct inelastic scattering of N2 from Ag(111). III. Normal incident N2 The Journal of Chemical Physics. 89: 6947-6955.  1
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.  1
1988 Doren DJ, Tully JC. Precursor-mediated adsorption and desorption: A theoretical analysis Langmuir. 4: 256-268.  1
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.  1
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  1
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  1
1987 Miller JB, Siddiqui HR, Gates SM, Russell JN, Yates JT, Tully JC, Cardillo MJ. Extraction of kinetic parameters in temperature programmed desorption: A comparison of methods The Journal of Chemical Physics. 87: 6725-6732.  1
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.  1
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.  1
1986 Kimman J, Rettner CT, Auerbach DJ, Barker JA, Tully JC. Correlation between kinetic-energy transfer to rotation and to phonons in gas-surface collisions of NO with Ag(111). Physical Review Letters. 57: 2053-2056. PMID 10033620 DOI: 10.1103/PhysRevLett.57.2053  1
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  1
1986 Lim C, Tully JC. Molecular dynamics of nonequilibrium infrequent events: Laser-induced desorption from surfaces The Journal of Chemical Physics. 85: 7423-7433.  1
1986 Estrup PJ, Greene EF, Cardillo MJ, Tully JC. Influence of surface phase transitions on desorption kinetics: The compensation effect Journal of Physical Chemistry. 90: 4099-4104.  1
1985 Tully JC, Chabal YJ, Raghavachari K, Bowman JM, Lucchese RR. Infrared linewidths and vibrational lifetimes at surfaces: H on Si(100). Physical Review. B, Condensed Matter. 31: 1184-1186. PMID 9935883 DOI: 10.1103/PhysRevB.31.1184  1
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  1
1985 Tully JC. Stochastic-trajectory simulations of gas-surface interactions: Xe on Pt(111) Faraday Discussions of the Chemical Society. 80: 291-298. DOI: 10.1039/DC9858000291  1
1985 Frankl DR, Comsa G, Sibener SJ, Barker JA, Elliott G, Jónsson H, Miller D, Weare JH, Liu WK, Auerbach D, Vidali G, Kreuzer HJ, Rettner CT, Pfnür HE, Auerbach DJ, ... ... Tully JC, et al. General discussion Faraday Discussions of the Chemical Society. 80: 299-305. DOI: 10.1039/DC9858000151  1
1985 Mayne HR, Polanyi JC, Tully JC. Dynamics of nonadiabatic reactions (theory). I. Branching ratios for early and late seams The Journal of Chemical Physics. 82: 161-169.  1
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.  1
1985 Lambert WR, Trevor PL, Schulberg MT, Cardillo MJ, Tully JC. LASER IRRADIATION OF Ge(100): AN ASSESSMENT OF SURFACE ORDER WITH He DIFFRACTION. Materials Research Society Symposia Proceedings. 35: 205-210.  1
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  1
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  1
1984 Lucchese RR, Tully JC. Trajectory studies of rainbow scattering from the reconstructed Si(100) surface Surface Science. 137: 570-594. DOI: 10.1016/0039-6028(84)90530-2  1
1984 Lucchese RR, Tully JC. Trajectory studies of vibrational energy transfer in gas-surface collisions The Journal of Chemical Physics. 80: 3451-3462.  1
1984 Lucchese RR, Tully JC. Laser induced thermal desorption from surfaces The Journal of Chemical Physics. 81: 6313-6319.  1
1983 Tully JC, Serri JA, Cardillo MJ. Summary Abstract: The influence of steps on the desorption of NO from Pt(111) Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 1: 1077. DOI: 10.1116/1.572048  1
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.  1
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.  1
1982 Havener CC, Westerveld WB, Risley JS, Tolk NH, Tully JC. Observation of a large electric dipole moment produced in electron-transfer collisions of H+ on He Physical Review Letters. 48: 926-929. DOI: 10.1103/PhysRevLett.48.926  1
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  1
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.  1
1981 Tolk NH, Feldman LC, Kraus JS, Tully JC, Hass M, Niv Y, Temmer GM. Role of surface interactions in beam-foil excited-state formation Physical Review Letters. 47: 487-490. DOI: 10.1103/PhysRevLett.47.487  1
1981 Tolk NH, Feldman LC, Kraus JS, Morris RJ, Traum MM, Tully JC. Optical radiation from electron-stimulated desorption of excited particles Physical Review Letters. 46: 134-137. DOI: 10.1103/PhysRevLett.46.134  1
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  1
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  1
1981 Kelly R, Dzioba S, Tolk NH, Tully JC. Atomic, molecular, and continuum radiation from ion-bombarded B and B2O3 Surface Science. 102: 486-505. DOI: 10.1016/0039-6028(81)90041-8  1
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.  1
1981 Tully JC. Dynamics of chemical processes at surfaces Accounts of Chemical Research. 14: 188-194.  1
1980 Grimmelmann EK, Tully JC, Cardillo MJ. Hard-cube model analysis of gas-surface energy accommodation The Journal of Chemical Physics. 72: 1039-1043.  1
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.  1
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.  1
1979 Tolk NH, Tully JC, Kraus JS, Heiland W, Neff SH. Polarization from grazing-incidence collisions of protons on a nickel single crystal Physical Review Letters. 42: 1475-1478. DOI: 10.1103/PhysRevLett.42.1475  1
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  1
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.  1
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  1
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  1
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.  1
1978 Nitzan A, Shugard M, Tully JC. Stochastic classical trajectory approach to relaxation phenomena. II. Vibrational relaxation of impurity molecules in Debye solids The Journal of Chemical Physics. 69: 2525-2535.  1
1977 Tully JC. Neutralization of ions at surfaces Physical Review B. 16: 4324-4334. DOI: 10.1103/PhysRevB.16.4324  1
1977 Goodman J, Tully JC, Bondybey VE, Brus LE. Excited state spectroscopy, subpicosecond predissociation, and solvation of diatomic XeO in solid rare gas hosts The Journal of Chemical Physics. 66: 4802-4810.  1
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  1
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  1
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  1
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.  1
1976 Tully JC, Truesdale CM. Diatomics-in-molecules potential energy surfaces. III. Non-Hermitian formulation The Journal of Chemical Physics. 65: 1002-1007.  1
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  1
1975 Weeks JD, Tully JC, Kimerling LC. Theory of recombination-enhanced defect reactions in semiconductors Physical Review B. 12: 3286-3292. DOI: 10.1103/PhysRevB.12.3286  1
1975 Tully JC. Reactions of O(1D) with atmospheric molecules The Journal of Chemical Physics. 62: 1893-1898.  1
1975 Tully JC. Calculation of one- and two-electron molecular properties by the method of diatomics-in-molecules The Journal of Chemical Physics. 64: 3182-3184.  1
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.  1
1974 Tully JC. Collision complex model for spin forbidden reactions: Quenching of O( 1D) by N2 The Journal of Chemical Physics. 61: 61-68.  1
1974 Tully JC. Collisions of F(2P1/2) with H2 The Journal of Chemical Physics. 60: 3042-3050.  1
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.  1
1973 Tully JC. Diatomics-in-molecules potential energy surfaces. II. Nonadiabatic and spin-orbit interactions The Journal of Chemical Physics. 59: 5135-5144.  1
1973 Tully JC. Diatomics-in-molecules potential energy surfaces. I. First-row triatomic hydrides The Journal of Chemical Physics. 1396-1410.  1
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  1
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  1
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.  1
1971 Preston RK, Tully JC. Effects of surface crossing in chemical reactions: The H3 + system The Journal of Chemical Physics. 54: 4297-4304.  1
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.  1
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  1
1968 Tully JC, Berry RS, Dalton BJ. Angular distribution of molecular photoelectrons Physical Review. 176: 95-105. DOI: 10.1103/PhysRev.176.95  1
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.  1
1964 Charles S J, Tully JC. Effects of electron transfer on high-resolution NMR spectra The Journal of Chemical Physics. 40: 1744-1750.  1
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