John C. Tully

Q: What Schools Are Affiliated With John C. Tully

John C. Tully is affiliated with the following schools: Yale University, University of California, San Diego, University of California, Riverside, University of California, Davis

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John C. Tully

Chemistry

#556

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#986

Historical Rank

#255

USA Rank

Quantum Chemistry

#19

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#19

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Chemistry

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According to Wikipedia, John C. Tully is a theoretical chemist, a researcher and Sterling Professor emeritus of Chemistry at Yale University. He is known for his development of surface hopping, a method for including excited states in molecular dynamics calculations. Much of his career was spent at Bell Labs, from 1970-1996, exploring theoretical chemistry and surface science. In 1996, he became a faculty member at Yale University, where he pursued research in physical chemistry and physics. He is a member of the National Academy of Sciences and the International Academy of Quantum Molecular Science. In 2020 he was awarded the NAS Award in Chemical Sciences.

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John C. Tully's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Molecular dynamics with electronic transitions (1990) (2698)
Trajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H+ with D2 (1971) (1242)
Proton transfer in solution: Molecular dynamics with quantum transitions (1994) (960)
Mixed quantum–classical dynamics (1998) (490)
Perspective: Nonadiabatic dynamics theory. (2012) (419)
Effects of surface crossing in chemical reactions - The H3 system (1971) (348)
Dynamics of gas–surface interactions: 3D generalized Langevin model applied to fcc and bcc surfaces (1980) (346)
Ab initio Ehrenfest dynamics. (2005) (282)
Mixed quantum-classical equilibrium. (2005) (280)
Molecular dynamics with electronic frictions (1995) (238)
Chemical Dynamics at the Gas−Surface Interface (1996) (228)
Dynamics of gas–surface interactions: Scattering and desorption of NO from Ag(111) and Pt(111) (1985) (227)
Preparation and structure of the alkali-metal fulleride A4C60 (1991) (226)
Desorption Induced by Electronic Transitions DIET I (1983) (225)
Theory of recombination-enhanced defect reactions in semiconductors (1975) (223)
Extraction of kinetic parameters in temperature programmed desorption: A comparison of methods (1987) (206)
Chemical dynamics at metal surfaces. (2003) (205)
Molecular dynamics of surface diffusion. I. The motion of adatoms and clusters (1979) (199)
Dynamics of gas-surface interactions: Thermal desorption of Ar and Xe from platinum (1981) (193)
Synthesis and characterization of alkali metal fullerides: AxC60 (1992) (191)
Hard-cube model analysis of gas-surface energy accommodation (1980) (184)
Transition state theory for collision complexes: product translational energy distributions (1972) (184)
Vibrational relaxation on metal surfaces : molecular-orbital theory and application to CO/Cu(100) (1992) (179)
Theories of the Dynamics of Inelastic and Reactive Processes at Surfaces (1980) (171)
Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface (2009) (170)
Diatomics‐in‐molecules potential energy surfaces. I. First‐row triatomic hydrides (1973) (158)
Neutralization of ions at surfaces (1977) (149)
Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born–Oppenheimer approximation for surface chemistry? (2004) (149)
Electronic and phonon mechanisms of vibrational relaxation: CO on Cu(100) (1993) (147)
ANGULAR DISTRIBUTION OF MOLECULAR PHOTOELECTRONS. (1968) (145)
Nonadiabatic dynamics at metal surfaces: independent-electron surface hopping. (2009) (141)
Collision complex model for spin forbidden reactions: Quenching of O(1D) by N2 (1974) (140)
Diatomics‐in‐molecules potential energy surfaces. II. Nonadiabatic and spin‐orbit interactions (1973) (139)
Collisions of F(2P1/2) with H2 (1974) (137)
Dynamics of gas–solid interactions: Calculations of energy transfer and sticking (1977) (136)
Mixed quantum-classical equilibrium: Surface hopping. (2008) (134)
Nonadiabatic molecular dynamics (1991) (134)
Washboard model of gas–surface scattering (1990) (132)
Dynamics of gas–surface interactions: Reaction of atomic oxygen with adsorbed carbon on platinum (1980) (132)
13C NMR Spectroscopy of KxC60: Phase Separation, Molecular Dynamics, and Metallic Properties (1991) (132)
Molecular dynamics of infrequent events: Thermal desorption of xenon from a platinum surface (1981) (128)
On the nature of trapping and desorption at high surface temperatures. Theory and experiments for the Ar–Pt(111) system (1991) (128)
Detailed Balance in Ehrenfest Mixed Quantum-Classical Dynamics. (2006) (123)
The driving mechanism behind attrition-enhanced deracemization. (2010) (116)
Time-dependent density functional theory Ehrenfest dynamics: collisions between atomic oxygen and graphite clusters. (2007) (115)
Dynamics of chemical processes at surfaces (1981) (110)
Molecular beam and trajectory studies of reactions of H+ with H2 (1974) (103)
A generalized surface hopping method (1998) (102)
Physical chemistry: Did life grind to a start? (2008) (92)
Ring polymer molecular dynamics with surface hopping. (2012) (91)
Nonadiabatic Processes in Molecular Collisions (1976) (90)
Nonadiabatic transition state theory and multiple potential energy surface molecular dynamics of infrequent events (1995) (89)
Nonadiabatic dynamics via the classical limit Schrödinger equation (2000) (85)
The influence of steps on the desorption kinetics of NO from Pt(111) (1983) (84)
Reactions of O(1D) with atmospheric molecules (1975) (83)
Trapping dynamics of xenon on Pt(111) (1990) (81)
Vibrational lifetimes of molecular adsorbates on metal surfaces. (2006) (80)
Atom–surface scattering dynamics at hyperthermal energies (1987) (79)
Orthogonality constrained density functional theory for electronic excited states. (2013) (77)
Direct inelastic scattering of N2 from Ag(111). II. Orientation (1988) (76)
Trajectory studies of vibrational energy transfer in gas--surface collisions (1984) (75)
Stochastic classical trajectory approach to relaxation phenomena. I. Vibrational relaxation of impurity molecules in solid matrices (1978) (71)
Studies of chemical reactivity in the condensed phase. IV. Density dependent molecular dynamics simulations of vibrational relaxation in simple liquids (1988) (71)
Model studies of nonadiabatic dynamics (1998) (70)
Angular Dependence of Oscillatory Structure in Low-Energy Ion-Surface Scattering (1976) (69)
Stochastic trajectory studies of small argon cluster scattering from Pt(111) (1988) (67)
Nonequilibrium Fermi golden rule for electronic transitions through conical intersections. (2011) (67)
The quenching of Na(3 2P) by H2: Interactions and dynamics (1982) (66)
Electron-hole pair contributions to scattering, sticking, and surface diffusion: CO on Cu(100) (1998) (66)
Electric field effects on chemisorption and vibrational relaxation of CO on Cu(100) (1993) (65)
Dynamics of Molecular Motion at Single-Crystal Surfaces (1984) (65)
Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces. (2016) (64)
Dynamics of cluster scattering from surfaces (1989) (60)
Influence of surface phase transitions on desorption kinetics: the compensation effect (1986) (60)
Diatomics‐in‐molecules potential energy surfaces. III. Non‐Hermitian formulation (1976) (59)
Laser induced thermal desorption from surfaces (1984) (57)
Puddle-skimming: An efficient sampling of multidimensional configuration space (2002) (57)
Mixed quantum-classical dynamics:. mean-field and surface-hopping (1998) (56)
Vibrationally Enhanced Proton Transfer (1995) (56)
Model Hamiltonian for the interaction of NO with the Au(111) surface. (2009) (55)
The coverage dependence of the sticking probability of Ar on Ru(001) (1991) (55)
Stochastic simulations of the trapping of ethane on Pt(111) from a realistic potential: The roles of energy transfer processes and surface corrugation (1996) (52)
INFRARED SPECTROSCOPY OF H-TERMINATED SILICON SURFACES (1993) (52)
Excited state spectroscopy, subpicosecond predissociation, and solvation of diatomic XeO in solid rare gas hosts (1977) (49)
Ab initio tensorial electronic friction for molecules on metal surfaces: Nonadiabatic vibrational relaxation (2016) (48)
A washboard with moment of inertia model of gas-surface scattering. (2004) (47)
Beam studies of energy and lifetime dependence of unimolecular decay: the extent of internal equilibration (1972) (47)
Photochemistry of DNA fragments via semiclassical nonadiabatic dynamics. (2010) (46)
Optical Radiation from Electron-Stimulated Desorption of Excited Particles (1981) (46)
Direct inelastic scattering of N2 from Ag(111). III. Normal incident N2 (1988) (46)
Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H_{2} on Ag(111). (2017) (45)
NO Vibrational Energy Transfer on a Metal Surface: Still a Challenge to First-Principles Theory (2015) (45)
Trajectory studies of rainbow scattering from the reconstructed Si(100) surface (1984) (44)
Elliptic Polarization of Balmer Radiation from Low-Energy Grazing-Incidence Collisions of Hydrogen Ions on Surfaces (1978) (44)
Dynamics of precursor‐mediated chemisorption (1991) (44)
SIMULATIONS OF FEMTOSECOND LASER-INDUCED DESORPTION OF CO FROM CU(100) (1994) (42)
Crossed-beam study of the reactions of H+2 with D2 and D+2 with H2 (1976) (41)
Infrared Characterization of the Icosahedral Shell Closing in Cl-·H2O·Arn(1 ≤n≤ 13) Clusters (2002) (41)
Trajectory studies of hyperthermal Xe scattering from GaAs(110) (1987) (41)
Multiquantum vibrational excitation of NO scattered from Au(111): quantitative comparison of benchmark data to ab initio theories of nonadiabatic molecule-surface interactions. (2012) (40)
Scattering of N2 from Ag(001) (1982) (40)
Precursor-mediated adsorption and desorption: a theoretical analysis (1988) (40)
Crossed‐Beam Study of the Reaction N++O2→NO++O (1971) (37)
Direct inelastic scattering of N2 from Ag(111). IV. Scattering from high temperature surface (1989) (37)
Vibrational relaxation of NO on Au(111) via electron-hole pair generation. (2006) (37)
Quantum-mechanical phase interference and optical polarization in low- energy Na$sup +$-Ne inelastic collisions (1976) (36)
Desorption Induced by Electronic-Transitions (1984) (36)
The dynamics of adsorption and desorption (1994) (35)
Statistical partitioning of electronic energy: Reactions of alkali dimers with halogen atoms (1975) (35)
Competition between static and dynamical effects in adsorption : sticking of Ar on Ar-covered Ru(001) (1992) (35)
Controlling spin contamination using constrained density functional theory. (2008) (34)
Modeling the interaction of hydrogen with silicon surfaces (1998) (33)
Stochastic-trajectory simulations of gas–surface interactions: Xe on Pt(111) (1985) (32)
Polarization from Grazing-Incidence Collisions of Protons on a Nickel Single Crystal (1979) (31)
Path-integral simulations beyond the adiabatic approximation. (2007) (30)
Ab initio time-resolved density functional theory for lifetimes of excited adsorbate states at metal surfaces (2007) (29)
Observation of a large electric dipole moment produced in electron-transfer collisions of H/sup +/ on He (1982) (28)
Perturbed ground state method for electron transfer (1999) (28)
Unusual kinetics of thermal decay of dim-light photoreceptors in vertebrate vision (2014) (27)
A rigorous procedure for combining molecular dynamics and Monte Carlo simulation algorithms (2000) (27)
Stochastic classical trajectory approach to relaxation phenomena. III. Comparison of trajectory results to quantum mechanical perturbation theory (1983) (26)
Reaction of hydrogen atomic ions with hydrogen molecules: Experiment, ab initio theory and a conceptual model (1971) (26)
Puddle-jumping: a flexible sampling algorithm for rare event systems (2002) (25)
Elastic Scattering of Low‐Energy Electrons by the Hydrogen Molecule (1969) (25)
Mode-Selective Control of Surface Reactions (2006) (24)
Photoinduced Water Oxidation at the Aqueous GaN (101̅0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step (2015) (24)
Role of surface interactions in beam-foil excited-state formation (1981) (23)
Dynamics of gas–surface energy transfer: Inelastic scattering of NO from Ag(111) (1987) (23)
Optical radiation from low-energy hydrogen atomic and molecular ion-surface collisions (1978) (23)
Communication: Charge-population based dispersion interactions for molecules and materials. (2016) (22)
Elliptic polarization from grazing-incidence collisions of hydrogen ions on polycrystalleve and single-crystal surfaces (1979) (21)
Ab initio molecular dynamics with dual basis set methods. (2010) (20)
New Molecular Collisional Interaction Effect in Low-Energy Sputtering (1998) (20)
Concluding remarks Non-adiabatic effects in chemical dynamics (2004) (20)
Effects of Electron Transfer on High‐Resolution NMR Spectra (1964) (19)
Atomic, molecular, and continuum radiation from ion-bombarded B and B2O3 (1981) (19)
Diatomics-in-Molecules (1977) (19)
The morphology of As terminated Si(111) from desorption kinetics (1988) (18)
Stochastic Trajectory Studies of Chemical Processes at Surfaces (1982) (18)
Molecular dynamics of nonequilibrium infrequent events: Laser‐induced desorption from surfaces (1986) (18)
Vibrational energy pooling in CO on NaCl(100): Methods (2002) (18)
Electron stimulated desorption of excited alkali atoms from alkali halide surfaces (1982) (18)
Efficient discretization of the continuum through complex contour deformation (2008) (18)
Pseudopotential Method for Inelastic Processes in Atoms and Molecules. I. General Method and Photodetachment of O (1969) (17)
Dynamics of Open-Shell Species at Metal Surfaces† (2009) (17)
Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics. (2021) (17)
Many-Electron Pseudopotential Formalism for Atomic and Molecular Excited-State Calculations (1969) (16)
Nonadiabatic dynamics at metal surfaces: independent electron surface hopping with phonon and electron thermostats. (2012) (16)
Vibrational Energy Pooling in CO on NaCl(100): Simulation and Isotope Effects† (2002) (15)
Calculation of one‐ and two‐electron molecular properties by the method of diatomics‐in‐molecules (1976) (15)
Vibrational Fano resonances in dipole-bound anions. (2012) (14)
Molecular Dynamics with Quantum Transitions (2000) (13)
Dynamical corrugation: simulations of the sticking of CO on Cu(100) (2001) (13)
Efficient thermal rate constant calculation for rare event systems (2003) (13)
Dynamic selective etching: a facile route to parabolic optical fiber nano-probe. (2013) (13)
Nonadiabatic dynamics near metal surfaces: Decoupling quantum equations of motion in the wide-band limit (2006) (13)
Simulations of collision-induced absorption of hydrogen on Ni(111) (1999) (13)
Mixed time slicing in path integral simulations. (2011) (12)
Simulation of Gas – Surface Dynamics (1984) (12)
Chemical dynamics from the gas‐phase to surfaces (2021) (11)
Lifetimes of excited atoms near metal surfaces (1989) (11)
Transition state barriers in multidimensional Marcus theory. (2008) (11)
Collisions Involving Electronic Transitions (1977) (10)
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 (1994) (10)
Quantum Defect Method for Linear Molecules and e–H2+ Scattering (1968) (10)
Stochastic trajectory simulations of vibrational energy flow at surfaces (1987) (10)
Preparation and structure of the alkali-metal fulleride, A4C60 (1991) (9)
Relativistic interactions in the radical pair model of magnetic field sense in CRY-1 protein of Arabidopsis thaliana. (2009) (9)
Semiclassical dynamics of electron transfer at metal surfaces. (2007) (8)
Semiempirical Diatomics‐in‐Molecules Potential Energy Surfaces (2007) (8)
Accommodation of Gases at Rough Surfaces (2009) (7)
Dynamics of nonadiabatic reactions (theory). I. Branching ratios for early and late seams (1985) (7)
nonadiabatic neutralization at surfaces: oscillatory ion scattering intensities (1977) (7)
Probing the remarkable thermal kinetics of visual rhodopsin with E181Q and S186A mutants. (2017) (6)
Computer simulation of the dynamics of chemical processes (1981) (6)
Quasimolecular States Responsible for Quantum-Mechanical Phase Interference in Low-Energy Na + -Ne Inelastic Collisions (1975) (6)
Dynamics at surfaces (1990) (6)
Polarization of Balmer Radiation from Grazing Incidence Collisions of Protons on Surfaces (1981) (5)
Accelerated ab initio molecular dynamics with response equation extrapolation (2010) (5)
Formation of excited states of hydrogen atoms scattered from metal surfaces (1986) (5)
Thermoregulation in Endothermic Insects Body temperature is closely attuned to activity and energy supplies (5)
Erratum: Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces [Phys. Rev. Lett. 116, 217601 (2016)]. (2017) (4)
The dynamics of adsorption, desorption and surface diffusion (1983) (4)
The discrepancy between helium and electron / x-ray diffraction from the W(001) surface (1989) (4)
Trajectories in Ion‐Molecule Reactions (1973) (4)
Chemical dynamics at surfaces (1991) (4)
Summary Abstract: Atomic and molecular scattering at surfaces (1981) (4)
Energy Distributions of Thermally Desorbed Molecules: NO on AG(111) and Pt(111) (1987) (3)
The creation of excited hydrogenic states near surfaces (1982) (3)
13C NMR Spectroscopy of K C60: Phase Separation, Molecular Dynamics, and Metallic Properties. (1991) (3)
Direct and Indirect Mechanisms of Stimulated Desorption (1983) (3)
Summary Abstract: The dynamics of energy flow at surfaces (1985) (3)
Dependence of alignment and orientation induced by grazing-incidence and beam-foil electron-exchange interactions on surface electronic structure (1989) (2)
Optical Radiation from Electron Sputtering of Alkali Halides (1981) (2)
Publisher's Note: Semiclassical Dynamics of Electron Transfer at Metal Surfaces [Phys. Rev. Lett. 99, 053201 (2007)] (2007) (2)
Nonequilibrium energy distributions in atoms and molecules desorbed from surfaces (A) (1984) (2)
Reprint of: Transition state theory for collision complexes: Product translational energy distributions (2013) (2)
Molecular effects in measured sputtering yields on gold at near threshold energies (1998) (1)
A tiered approach to Monte Carlo sampling with self-consistent field potentials. (2011) (1)
An analytic representation of the high energy electron distribution in atomic or molecular plasmas produced by particle beams (1988) (1)
Excited atoms and molecules. (1976) (1)
A Partnership Inspiring Interest in MSE Careers: The Center for Research on Interface Structures and Phenomena (CRISP) (2007) (1)
Hydrogen line spectrum in quasars. (1982) (1)
Interaction Potentials for Gas-Surface Dynamics (1981) (1)
Crisp: The Center for Research on Interface Structures and Phenomena, Yale University (2010) (1)
Quenching of Na(3 /sup 2/P) by H/sub 2/: Interactions and dynamics (1982) (1)
LOW ENERGY INELASTIC COLLISION PROCESSES:SURFACE REACTIONS IN SPACE (1990) (0)
Hydrogen‐surface electron transition rates (2008) (0)
A crossed beam study of the reaction N/plus/ plus O2 yields NO/plus/ plus O (1970) (0)
The Emergence of Simplicity from Complexity (2014) (0)
Summary Abstract: The influence of steps on the desorption of NO from Pt(111) (1983) (0)
Electron-Driven Chemistry at Surfaces (1998) (0)
The Role of Electronic Excitations on Chemical Reaction Dynamics at Metal, Semiconductor and Nanoparticle Surfaces (2017) (0)
The Sticking of Ne on Ru(001): Quantum vs. Classical Behavior (1988) (0)
H erw ig+ + Physics and M anual (2008) (0)
Crossed-beam study of the reaction N/plus/ and O2 leading to NO/plus/ and O (1971) (0)
Molecular dynamics of laser-induced desorption (1987) (0)
Observation of Enhanced Sputtering by Molecular Ions at Near-Threshold Energies (1998) (0)
Electron exchange between dipole-bound anion and polar molecule and dipole-bound anions dimer formation (2009) (0)
Estimating the error of the FDTD method for complex inhomogeneous models (1997) (0)
Vibrational Fano resonances in the photodetachment of dipole-bound anions (2012) (0)
Ehrenfest dynamics with quantum mechanical nuclei (2023) (0)
Laser Irradiation of Ge(100): An Assessment of Surface Order with He Diffraction (1984) (0)
Direct inelastic scattering of N/sub 2/ from Ag(111). III. Normal incident N/sub 2/ (1988) (0)
Dynamics at Metal Surfaces (2004) (0)
MOLECULAR EFFECTS IN SPUTTERING YIELDS MEASURED ON GOLD AT NEAR THRESHOLD ENERGIES (1998) (0)
A Tribute to Steven J. Sibener (2015) (0)
Excited Atoms and Molecules: The Excited State in Chemical Physics . J. Wm. McGowan, Ed. Interscience (Wiley), New York, 1975. xii, 492 pp., illus. $25.50. Advances in Chemical Physics, vol. 28. (1976) (0)
Enhancement of Sputtering Yields by Low-Energy Molecular Ions (1997) (0)
SYNTHESIS AND CHARACTERIZATION OF ALKALI METAL FULLERIDES : A $ , , (2002) (0)
Materials Science at Yale: Crisp: The Center for Research on Interface Structures and Phenomena, Yale University (Adv. Mater. 26–27/2010) (2010) (0)
Preparation and Structure of the Alkali Metal Fulleride A4C60 (A: K, Rb, Cs). (1991) (0)
CROSSED-BEAM STUDY OF THE REACTIONS OF H; WITH D2 AND D; WITH Hz (1976) (0)
Photochemistry of DNA Fragments Via Semiclassical Nonadiabatic Dynamics (2010) (0)
Proceedings of the workshop stochastic molecular dynamics. NRCC Proceedings No. 6 (1979) (0)
Mixed quantumñclassical dynamics (1998) (0)
Chemistry. Mode-selective control of surface reactions. (2006) (0)
Paducah Daily Register, June 16, 1906 (2019) (0)
Vibrational Energy Pooling: CO on NaCl (2001) (0)
Supporting Information for : The Role of Tensorial Friction in Nonadiabatic Energy Loss at Metal Surfaces (2016) (0)
Memorial Viewpoint for William L. Hase. (2020) (0)
TRAJECTORIES IN ION-MOLECULE REACTIONS (1973) (0)
Thermodynamic Implications of Desorption from Crystal Surfaces (1984) (0)
Computer Simulation of DIET Processes: Molecular Dynamics with Electronic Transitions (1993) (0)
Mixed quantum-classical simulations of chemical dynamics at surfaces (1997) (0)
Correction to "Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics". (2021) (0)
Molecular beam and trajectory studies of reactions of H$sup +$ with H$sub 2$ (1974) (0)

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What Schools Are Affiliated With John C. Tully?

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