Theoretical studies on bimolecular reaction dynamics.

Chemical dynamics of vibrationally excited molecules: Controlling reactions in gases and on surfaces. Proc Natl Acad Sci U S A (2008) 1.07

A possible mechanism for evading temperature quantum decoherence in living matter by feshbach resonance. Int J Mol Sci (2009) 0.83

Quasiclassical trajectory study of H+SiH4 reactions in full-dimensionality reveals atomic-level mechanisms. Proc Natl Acad Sci U S A (2009) 0.78

Chemical reaction dynamics. Proc Natl Acad Sci U S A (2008) 0.75

Unified approach for molecular dynamics and density-functional theory. Phys Rev Lett (1985) 7.13

Ab initio quantum chemistry: methodology and applications. Proc Natl Acad Sci U S A (2005) 1.88

Nonadiabatic interactions in the Cl + H2 reaction probed by ClH2- and ClD2- photoelectron imaging. Science (2008) 1.76

Observation of Feshbach resonances in the F + H2 --> HF + H reaction. Science (2006) 1.49

Theoretical study of geometric phase effects in the hydrogen-exchange reaction. Science (2005) 1.48

Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes. J Chem Phys (2006) 1.12

State-to-state dynamics of elementary bimolecular reactions. Annu Rev Phys Chem (2007) 1.06

Coupling of hydrogenic tunneling to active-site motion in the hydrogen radical transfer catalyzed by a coenzyme B12-dependent mutase. Proc Natl Acad Sci U S A (2007) 1.05

Breakdown of the Born-Oppenheimer approximation in the F+ o-D2 -> DF + D reaction. Science (2007) 1.04

First-principles theory for the H + CH4 --> H2 + CH3 reaction. Science (2004) 1.03

A direct dynamics trajectory study of F- + CH(3)OOH reactive collisions reveals a major non-IRC reaction path. J Am Chem Soc (2007) 0.99

Understanding reactivity at very low temperatures: the reactions of oxygen atoms with alkenes. Science (2007) 0.99

Mode-specific energy disposal in the four-atom reaction OH + D2 --> HOD + D. Science (2000) 0.93

Quantum scattering calculations on chemical reactions. Annu Rev Phys Chem (2002) 0.88

Interference of quantized transition-state pathways in the H + D2 -> D + HD chemical reaction. Science (2003) 0.87

Quasiclassical trajectory study of the reaction H+CH4(nu3 = 0,1)-->CH3+H2 using a new ab initio potential energy surface. J Chem Phys (2006) 0.86

Theories of reactive scattering. J Chem Phys (2006) 0.83

Reactions at very low temperatures: gas kinetics at a new frontier. Angew Chem Int Ed Engl (2006) 0.81

Including quantum effects in the dynamics of complex (i.e., large) molecular systems. J Chem Phys (2006) 0.81

Effect of a single quantum rotational excitation on state-to-state dynamics of the O(1D)+H2-->OH+H reaction. Phys Rev Lett (2002) 0.80

The Liversidge Lecture 2001-02. Chemistry amongst the stars: reaction kinetics at a new frontier. Chem Soc Rev (2002) 0.80

Quantum study on the branching ratio of the reaction NO2+OH. J Chem Phys (2007) 0.78