The stability and oxidation of supported atomic-size Cu catalysts in reactive environments.  151:054702-054702. 2019

Diffusion network of CO in FeFe-Hydrogenase..  149:204108. 2018

Mechanisms of bridge-mediated electron transfer: a TDDFT electronic dynamics study..  137:22A512. 2012

On the gauge invariance of nonperturbative electronic dynamics using the time-dependent Hartree-Fock and time-dependent Kohn-Sham..  135:164101. 2011

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

(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

Chemical Physics