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Surface hopping with Ehrenfest excited potential..  135:144102. 2011

Efficient first-principles electronic dynamics..  134:184102. 2011

Open-system electronic dynamics and thermalized electronic structure..  134:024118. 2011

Self-assembly of long chain alkanes and their derivatives on graphite..  128:124709. 2008

Semiclassical treatments for small-molecule dynamics in low-temperature crystals using fixed and adiabatic vibrational bases..  127:114502. 2007

Toward uniform nanotubular compounds: synthetic approach and ab initio calculations..  124:121102. 2006

Phase changes in Lennard-Jones mixed clusters with composition Ar(n)Xe(6-n) (n=0,1,2)..  123:94505. 2005

(2+1) resonance-enhanced ionization spectroscopy of a state-selected beam of OH radicals..  123:074309. 2005

Fluorescence-dip infrared spectroscopy and predissociation dynamics of OH A 2Sigma+ (v = 4) radicals..  122:244313. 2005

Evidence for partial quenching of orbital angular momentum upon complex formation in the infrared spectrum of OH-acetylene..  121:5845-5851. 2004

Infrared spectrum and stability of a pi-type hydrogen-bonded complex between the OH and C2H2 reactants..  121:3009-3018. 2004

Photodissociation of the OD radical at 226 and 243 nm.  119:9341-9343. 2003

Hot atom reaction yields in Mu(*)+H-2 and T-*+H-2 from quasiclassical trajectory cross sections on the Liu-Siegbahn-Truhlar-Horowitz surface.  112:9390-9403. 2000

Optimal annealing schedules for two-, three-, and four-level systems using a genetic algorithm approach.  112:7964-7978. 2000

A study of genetic algorithm approaches to global geometry optimization of aromatic hydrocarbon microclusters.  108:2208-2218. 1998

Structure of Na(3 P-2)-Ar-n clusters using semiempirical potentials.  108:308-316. 1998

Global geometry optimization of atomic clusters using a modified genetic algorithm in space-fixed coordinates.  105:4700-4706. 1996

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EVALUATION OF THERMAL RATES FOR REACTIONS WITH INTERMEDIATE WELLS - REMOVAL OF BOUND-STATE CONTRIBUTIONS TO QUANTUM FLUX CORRELATION-FUNCTIONS.  99:3516-3525. 1993

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A STATIONARY PHASE STUDY OF MJ RAINBOWS IN MOLECULE-CORRUGATED SURFACE SCATTERING.  89:6515-6522. 1988

THE EFFECT OF REAGENT ROTATION IN THE REACTION OH(J)+H2(J')-]H2O+H.  88:7424-7433. 1988

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DYNAMICS OF NONADIABATIC REACTIONS (THEORY) .1. BRANCHING RATIOS FOR EARLY AND LATE SEAMS.  82:161-169. 1985

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ROTATIONAL ENERGY-TRANSFER IN H + H-2(V) INELASTIC-COLLISIONS.  81:2684-2688. 1984

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Chemical Physics