Todd Martínez - Dissemin

Papers authored by Todd Martínez

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2002 Michal Ben‐Nun, Todd J. Martínez

Ab Initio Quantum Molecular Dynamics

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A. Toniolo, M. Ben-Nun, T. J. Martínez

Optimization of Conical Intersections with Floating Occupation Semiempirical Configuration Interaction Wave Functions

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M. Ben-Nun, F. Molnar, K. Schulten, Todd J. Martínez

The role of intersection topography in bond selectivity of cis-trans photoisomerization

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S. Olsen, L. Manohar, Tj Martinez

Features of interest on the S-0 and S-1 potential energy surfaces of a model green fluorescent protein chromophore

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2001 Jason Quenneville, M. Ben Nun, Todd J. Martı́nez

Photochemistry from first principles — advances and future prospects

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Michael D. Hack, Amanda M. Wensmann, Donald G. Truhlar, M. Ben Nun, Todd J. Martı´nez, Tj Martinez

, Todd J. Martı́nez

Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics

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Jorge Morales, Todd J. Martínez

Classical Fluctuating Charge Theories: The Maximum Entropy Valence Bond Formalism and Relationships to Previous Models†

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Aj Kim, S. Olsen, J. Hemp, Tj Martinez

HYDRA: A program for QM/MM and dynamics calculations

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2000 M. Ben-Nun, Todd J. Martı́nez

Photodynamics of ethylene: ab initio studies of conical intersections

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M. Ben Nun, Todd J. Martínez

Direct Observation of Disrotatory Ring-Opening in Photoexcited Cyclobutene Using ab Initio Molecular Dynamics

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M. Ben-Nun, Jason Quenneville, Todd J. Martínez

Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics

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Db Moore, Tj Martinez

Ab initio studies of coupled electron transfer/proton transfer in cytochrome c oxidase (vol 104A, pg 2371, 2000)

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M. Ben-Nun, Todd J. Martı́nez

A multiple spawning approach to tunneling dynamics

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F. Molnar, M. Ben-Nun, Tj J. Martinez

, K. Schulten

Characterization of a conical intersection between the ground and first excited state for a retinal analog

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1999 M. Ben-Nun, Todd J. Martínez

Electronic Absorption and Resonance Raman Spectroscopy from Ab Initio Quantum Molecular Dynamics

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M. Ben-Nun, Todd J. Martínez

Semiclassical Tunneling Rates from Ab Initio Molecular Dynamics

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K. Thompson, Tj Martinez

Ab initio interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions

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Orlando M. Cabarcos, Corey J. Weinheimer, Todd J. Martı́nez

, James M. Lisy

The solvation of chloride by methanol—surface versus interior cluster ion states

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M. Ben-Nun, Todd J. Martı́nez

Exploiting temporal nonlocality to remove scaling bottlenecks in nonadiabatic quantum dynamics

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1998 M. Ben-Nun, Todd J. Martı́nez

Ab initio molecular dynamics study of cis–trans photoisomerization in ethylene

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Papers authored by Todd Martínez