| 1 |
Monte Carlo simulation of carbon nanotube nucleation and growth using nonlinear dynamic predictions
Cheng CQ, Bukkapatnam STS, Raff LM, Hagan M, Komanduri R
Chemical Physics Letters, 530, 81, 2012 |
| 2 |
Molecular Dynamics Investigation of the Bimolecular Reaction BeH + H-2 -> BeH2 + H on an ab Initio Potential-Energy Surface Obtained Using Neural Network Methods with Both Potential and Gradient Accuracy Determination
Le HM, Raff LM
Journal of Physical Chemistry A, 114(1), 45, 2010 |
| 3 |
A Self-Starting Method for Obtaining Analytic Potential-Energy Surfaces from ab Initio Electronic Structure Calculations
Agrawal PM, Malshe M, Narulkar R, Raff LM, Hagan M, Bukkapatnum S, Komanduri R
Journal of Physical Chemistry A, 113(5), 869, 2009 |
| 4 |
Theoretical investigations of intramolecular energy transfer rates and pathways for vinyl bromide on an ab initio potential-energy surface
Rahaman A, Raff LM
Journal of Physical Chemistry A, 105(11), 2147, 2001 |
| 5 |
Trajectory investigations of the dissociation dynamics of vinyl bromide on an ab initio potential-energy surface
Rahaman A, Raff LM
Journal of Physical Chemistry A, 105(11), 2156, 2001 |
| 6 |
Intramolecular Energy-Transfer Rates for Vinyl Bromide and Deuterium-Substituted Vinyl Bromides from Power Spectrum Line Splittings
Pan R, Raff LM
Journal of Chemical Physics, 106(4), 1382, 1997 |
| 7 |
Classical Variational Transition-State Theory Study of Hydrogen-Atom Diffusion Dynamics in Imperfect Xenon Matrices
Pan R, Raff LM
Journal of Physical Chemistry A, 101(3), 235, 1997 |
| 8 |
Statistical and Nonstatistical Dynamics in the Unimolecular Decomposition of Vinyl Bromide
Kay RD, Raff LM
Journal of Physical Chemistry A, 101(6), 1007, 1997 |
| 9 |
Spectral-Line Shapes in Systems Undergoing Continuous Frequency-Modulation
Agrawal PM, Sorescu DC, Kay RD, Thompson DL, Raff LM, Conrey JB, Jameson AK
Journal of Chemical Physics, 105(7), 2686, 1996 |
| 10 |
Intramolecular Energy-Transfer Rates and Pathways for Vinyl Bromide
Pan R, Raff LM
Journal of Physical Chemistry, 100(20), 8085, 1996 |
