On the water− carbon interaction for use in molecular dynamics simulations of graphite and carbon nanotubes T Werder, JH Walther, RL Jaffe, T Halicioglu, P Koumoutsakos The Journal of Physical Chemistry B 107 (6), 1345-1352, 2003 | 1468 | 2003 |
Review of chemical-kinetic problems of future NASA missions. II-Mars entries C Park, JT Howe, RL Jaffe, GV Candler Journal of Thermophysics and Heat transfer 8 (1), 9-23, 1994 | 704 | 1994 |
Carbon nanotubes in water: structural characteristics and energetics JH Walther, R Jaffe, T Halicioglu, P Koumoutsakos The Journal of Physical Chemistry B 105 (41), 9980-9987, 2001 | 597 | 2001 |
Chemical-kinetic parameters of hyperbolic earth entry C Park, RL Jaffe, H Partridge Journal of Thermophysics and Heat transfer 15 (1), 76-90, 2001 | 538 | 2001 |
Benzene dimer: A good model for π− π interactions in proteins? A comparison between the benzene and the toluene dimers in the gas phase and in an aqueous solution C Chipot, R Jaffe, B Maigret, DA Pearlman, PA Kollman Journal of the American Chemical Society 118 (45), 11217-11224, 1996 | 412 | 1996 |
A quantum chemistry study of benzene dimer RL Jaffe, GD Smith The Journal of chemical physics 105 (7), 2780-2788, 1996 | 357 | 1996 |
Molecular dynamics simulation of contact angles of water droplets in carbon nanotubes T Werder, JH Walther, RL Jaffe, T Halicioglu, F Noca, P Koumoutsakos Nano letters 1 (12), 697-702, 2001 | 300 | 2001 |
Low-dielectric, nanoporous organosilicate films prepared via inorganic/organic polymer hybrid templates CV Nguyen, KR Carter, CJ Hawker, JL Hedrick, RL Jaffe, RD Miller, ... Chemistry of materials 11 (11), 3080-3085, 1999 | 287 | 1999 |
Molecular dynamics simulations of carbon nanotube-based gears J Han, A Globus, R Jaffe, G Deardorff Nanotechnology 8 (3), 95, 1997 | 251 | 1997 |
Rovibrational internal energy transfer and dissociation of N2(1Σg+)−N(4Su) system in hypersonic flows M Panesi, RL Jaffe, DW Schwenke, TE Magin The Journal of chemical physics 138 (4), 2013 | 244 | 2013 |
Infrared spectroscopy study of microstructures of poly (silsesquioxane) s ES Park, HW Ro, CV Nguyen, RL Jaffe, DY Yoon Chemistry of Materials 20 (4), 1548-1554, 2008 | 228 | 2008 |
Conformations and structures of poly (oxyethylene) melts from molecular dynamics simulations and small-angle neutron scattering experiments GD Smith, DY Yoon, RL Jaffe, RH Colby, R Krishnamoorti, LJ Fetters Macromolecules 29 (10), 3462-3469, 1996 | 203 | 1996 |
Force field for simulations of 1, 2-dimethoxyethane and poly (oxyethylene) based upon ab initio electronic structure calculations on model molecules GD Smith, RL Jaffe, DY Yoon The Journal of Physical Chemistry 97 (49), 12752-12759, 1993 | 191 | 1993 |
Observation and modeling of single-wall carbon nanotube bend junctions J Han, MP Anantram, RL Jaffe, J Kong, H Dai Physical Review B 57 (23), 14983, 1998 | 159 | 1998 |
Conformation of 1, 2-dimethoxyethane from ab initio electronic structure calculations RL Jaffe, GD Smith, DY Yoon The Journal of Physical Chemistry 97 (49), 12745-12751, 1993 | 156 | 1993 |
Classical Trajectory Analysis of the Reaction F+H2→HF+H RL Jaffe, JB Anderson The Journal of Chemical Physics 54 (5), 2224-2236, 1971 | 151 | 1971 |
Nonequilibrium shock-heated nitrogen flows using a rovibrational state-to-state method M Panesi, A Munafò, TE Magin, RL Jaffe Physical Review E 90 (1), 013009, 2014 | 150 | 2014 |
Quantum chemistry study of conformational energies and rotational energy barriers in n-alkanes GD Smith, RL Jaffe The Journal of Physical Chemistry 100 (48), 18718-18724, 1996 | 149 | 1996 |
Hydrophobic hydration of C60 and carbon nanotubes in water JH Walther, RL Jaffe, EM Kotsalis, T Werder, T Halicioglu, ... Carbon 42 (5-6), 1185-1194, 2004 | 142 | 2004 |
Theoretical study of the four lowest doublet electronic states of the hydroperoxyl radical: Application to photodissociation SR Langhoff, RL Jaffe The Journal of Chemical Physics 71 (3), 1475-1485, 1979 | 125 | 1979 |