loading

- On the efficient path integral evaluation of thermal rate constants within the quantum instanton approximation.[J Chem Phys. 2004]On the efficient path integral evaluation of thermal rate constants within the quantum instanton approximation.
*Yamamoto T, Miller WH.**J Chem Phys. 2004 Feb 15; 120(7):3086-99.* - Path integral calculation of thermal rate constants within the quantum instanton approximation: application to the H + CH4 --> H2 + CH3 hydrogen abstraction reaction in full Cartesian space.[J Chem Phys. 2004]Path integral calculation of thermal rate constants within the quantum instanton approximation: application to the H + CH4 --> H2 + CH3 hydrogen abstraction reaction in full Cartesian space.
*Zhao Y, Yamamoto T, Miller WH.**J Chem Phys. 2004 Feb 15; 120(7):3100-7.* - Test of the quantum instanton approximation for thermal rate constants for some collinear reactions.[J Chem Phys. 2004]Test of the quantum instanton approximation for thermal rate constants for some collinear reactions.
*Ceotto M, Miller WH.**J Chem Phys. 2004 Apr 8; 120(14):6356-62.* - Comparison of quantum dynamics and quantum transition state theory estimates of the H + CH4 reaction rate.[J Phys Chem A. 2009]Comparison of quantum dynamics and quantum transition state theory estimates of the H + CH4 reaction rate.
*Andersson S, Nyman G, Arnaldsson A, Manthe U, Jónsson H.**J Phys Chem A. 2009 Apr 23; 113(16):4468-78.* - Reaction rate theory: what it was, where is it today, and where is it going?[Chaos. 2005]Reaction rate theory: what it was, where is it today, and where is it going?
*Pollak E, Talkner P.**Chaos. 2005 Jun; 15(2):26116.*