| Year |
Citation |
Score |
| 2021 |
Cannon WR, Raff LM. The formulation of chemical potentials and free energy changes in biochemical reactions. Physical Chemistry Chemical Physics : Pccp. PMID 34196644 DOI: 10.1039/d1cp02045e |
0.337 |
|
| 2019 |
Raff LM, Cannon WR. On the Reunification of Chemical and Biochemical Thermodynamics: A Simple Example for Classroom Use Journal of Chemical Education. 96: 274-284. DOI: 10.1021/Acs.Jchemed.8B00795 |
0.414 |
|
| 2016 |
Iotti S, Raff L, Sabatini A. Chemical and biochemical thermodynamics: Is it time for a reunification? Biophysical Chemistry. 221: 49-57. PMID 27866672 DOI: 10.1016/J.Bpc.2016.10.004 |
0.452 |
|
| 2016 |
Cheng C, Bukkapatnam ST, Raff L, Komanduri R. Fast Monte Carlo Simulation-based Process Design and Planning for Carbon Nanotube Synthesis Procedia Manufacturing. 5: 1357-1368. DOI: 10.1016/J.Promfg.2016.08.106 |
0.373 |
|
| 2015 |
Silverberg LJ, Raff LM. Are the concepts of dynamic equilibrium and the thermodynamic criteria for spontaneity, nonspontaneity, and equilibrium compatible? Journal of Chemical Education. 92: 655-659. DOI: 10.1021/Ed500660J |
0.449 |
|
| 2014 |
Woodham AW, Raff AB, Raff LM, Da Silva DM, Yan L, Skeate JG, Wong MK, Lin YG, Kast WM. Inhibition of Langerhans cell maturation by human papillomavirus type 16: a novel role for the annexin A2 heterotetramer in immune suppression. Journal of Immunology (Baltimore, Md. : 1950). 192: 4748-57. PMID 24719459 DOI: 10.4049/Jimmunol.1303190 |
0.195 |
|
| 2014 |
Raff LM. Spontaneity and equilibrium III: A history of misinformation Journal of Chemical Education. 91: 2128-2136. DOI: 10.1021/Ed500253E |
0.396 |
|
| 2014 |
Raff LM. Spontaneity and equilibrium II: Multireaction systems Journal of Chemical Education. 91: 839-847. DOI: 10.1021/Ed4008205 |
0.439 |
|
| 2014 |
Raff LM. Spontaneity and equilibrium: Why "δ g < 0 denotes a spontaneous process" and "δ G = 0 means the system is at equilibrium" are incorrect Journal of Chemical Education. 91: 386-395. DOI: 10.1021/Ed400453S |
0.424 |
|
| 2013 |
Raff AB, Woodham AW, Raff LM, Skeate JG, Yan L, Da Silva DM, Schelhaas M, Kast WM. The evolving field of human papillomavirus receptor research: a review of binding and entry. Journal of Virology. 87: 6062-72. PMID 23536685 DOI: 10.1128/JVI.00330-13 |
0.19 |
|
| 2012 |
Cheng C, Bukkapatnam STS, Raff LM, Komanduri R. Towards control of carbon nanotube synthesis process using prediction-based fast monte carlo simulations Transactions of the North American Manufacturing Research Institution of Sme. 40: 371-378. DOI: 10.1016/J.Jmsy.2012.06.006 |
0.362 |
|
| 2012 |
Cheng C, Bukkapatnam STS, Raff LM, Hagan M, Komanduri R. Monte Carlo simulation of carbon nanotube nucleation and growth using nonlinear dynamic predictions Chemical Physics Letters. 530: 81-85. DOI: 10.1016/J.Cplett.2012.01.067 |
0.369 |
|
| 2012 |
Cheng C, Bukkapatnam STS, Raff LM, Komanduri R. Novel nanoinformatics methods for scaling up atomistic-scale simulation of carbon nanotube synthesis 62nd Iie Annual Conference and Expo 2012. 1985-1993. |
0.277 |
|
| 2012 |
Cheng C, Bukkapatnam STS, Raff LM, Komanduri R. Towards control of carbon nanotube synthesis process using prediction-based fast monte carlo simulations Transactions of the North American Manufacturing Research Institution of Sme. 40: 371-378. |
0.259 |
|
| 2011 |
Pukrittayakamee A, Hagan M, Raff L, Bukkapatnam ST, Komanduri R. Practical training framework for fitting a function and its derivatives. Ieee Transactions On Neural Networks / a Publication of the Ieee Neural Networks Council. 22: 936-47. PMID 21592919 DOI: 10.1109/Tnn.2011.2128344 |
0.336 |
|
| 2010 |
Malshe M, Raff LM, Hagan M, Bukkapatnam S, Komanduri R. Input vector optimization of feed-forward neural networks for fitting ab initio potential-energy databases. The Journal of Chemical Physics. 132: 204103. PMID 20515084 DOI: 10.1063/1.3431624 |
0.465 |
|
| 2010 |
Le HM, Raff LM. Molecular dynamics investigation of the bimolecular reaction BeH + H(2) --> BeH(2) + H on an ab initio potential-energy surface obtained using neural network methods with both potential and gradient accuracy determination. The Journal of Physical Chemistry. A. 114: 45-53. PMID 19852450 DOI: 10.1021/Jp907507Z |
0.547 |
|
| 2010 |
Agrawal PM, Narulkar R, Bukkapatnam S, Raff LM, Komanduri R. A phenomenological model of polishing of silicon with diamond abrasive Tribology International. 43: 100-107. DOI: 10.1016/J.Triboint.2009.05.003 |
0.408 |
|
| 2010 |
Agrawal PM, Raff LM, Bukkapatnam S, Komanduri R. Molecular dynamics investigations on polishing of a silicon wafer with a diamond abrasive Applied Physics a: Materials Science and Processing. 100: 89-104. DOI: 10.1007/S00339-010-5570-Y |
0.419 |
|
| 2009 |
Malshe M, Pukrittayakamee A, Raff LM, Hagan M, Bukkapatnam S, Komanduri R. Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the database. The Journal of Chemical Physics. 131: 124127. PMID 19791872 DOI: 10.1063/1.3231686 |
0.48 |
|
| 2009 |
Le HM, Huynh S, Raff LM. Molecular dissociation of hydrogen peroxide (HOOH) on a neural network ab initio potential surface with a new configuration sampling method involving gradient fitting. The Journal of Chemical Physics. 131: 014107. PMID 19586096 DOI: 10.1063/1.3159748 |
0.501 |
|
| 2009 |
Malshe M, Narulkar R, Raff LM, Hagan M, Bukkapatnam S, Agrawal PM, Komanduri R. Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations. The Journal of Chemical Physics. 130: 184102. PMID 19449903 DOI: 10.1063/1.3124802 |
0.497 |
|
| 2009 |
Pukrittayakamee A, Malshe M, Hagan M, Raff LM, Narulkar R, Bukkapatnum S, Komanduri R. Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks. The Journal of Chemical Physics. 130: 134101. PMID 19355711 DOI: 10.1063/1.3095491 |
0.48 |
|
| 2009 |
Agrawal PM, Malshe M, Narulkar R, Raff LM, Hagan M, Bukkapatnum S, Komanduri R. A self-starting method for obtaining analytic potential-energy surfaces from ab initio electronic structure calculations. The Journal of Physical Chemistry. A. 113: 869-77. PMID 19123779 DOI: 10.1021/Jp8085232 |
0.542 |
|
| 2009 |
Pukrittayakamee A, Hagan M, Raff L, Bukkapatnam S, Komanduri R. A network pruning algorithm for combined function and derivative approximation Proceedings of the International Joint Conference On Neural Networks. 2553-2560. DOI: 10.1109/IJCNN.2009.5178765 |
0.229 |
|
| 2009 |
Narulkar R, Bukkapatnam S, Raff LM, Komanduri R. Graphitization as a precursor to wear of diamond in machining pure iron: A molecular dynamics investigation Computational Materials Science. 45: 358-366. DOI: 10.1016/J.Commatsci.2008.10.007 |
0.391 |
|
| 2008 |
Malshe M, Narulkar R, Raff LM, Hagan M, Bukkapatnam S, Komanduri R. Parametrization of analytic interatomic potential functions using neural networks. The Journal of Chemical Physics. 129: 044111. PMID 18681638 DOI: 10.1063/1.2957490 |
0.449 |
|
| 2008 |
Le HM, Raff LM. Cis-->trans, trans-->cis isomerizations and N-O bond dissociation of nitrous acid (HONO) on an ab initio potential surface obtained by novelty sampling and feed-forward neural network fitting. The Journal of Chemical Physics. 128: 194310. PMID 18500868 DOI: 10.1063/1.2918503 |
0.537 |
|
| 2008 |
Bukkapatnam S, Komanduri R, Yang H, Rao P, Lih WC, Malshe M, Raff LM, Benjamin B, Rockley M. Classification of atrial fibrillation episodes from sparse electrocardiogram data. Journal of Electrocardiology. 41: 292-9. PMID 18367198 DOI: 10.1016/J.Jelectrocard.2008.01.004 |
0.301 |
|
| 2008 |
Narulkar R, Bukkapatnam S, Raff LM, Komanduri R. Molecular dynamics simulations of diffusion of carbon into iron Philosophical Magazine. 88: 1259-1275. DOI: 10.1080/14786430802123232 |
0.368 |
|
| 2008 |
Agrawal PM, Sudalayandi BS, Raff LM, Komanduri R. Molecular dynamics (MD) simulations of the dependence of C-C bond lengths and bond angles on the tensile strain in single-wall carbon nanotubes (SWCNT) Computational Materials Science. 41: 450-456. DOI: 10.1016/J.Commatsci.2007.05.001 |
0.371 |
|
| 2007 |
Malshe M, Raff LM, Rockley MG, Hagan M, Agrawal PM, Komanduri R. Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks. II. Numerical application of the method. The Journal of Chemical Physics. 127: 134105. PMID 17919009 DOI: 10.1063/1.2768948 |
0.507 |
|
| 2006 |
Doughan DI, Raff LM, Rockley MG, Hagan M, Agrawal PM, Komanduri R. Retraction: "Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feed-forward neural networks" [J. Chem. Phys. 124, 054321 (2006)]. The Journal of Chemical Physics. 125: 079901. PMID 16942385 DOI: 10.1063/1.2264051 |
0.489 |
|
| 2006 |
Agrawal PM, Raff LM, Hagan MT, Komanduri R. Molecular dynamics investigations of the dissociation of SiO2 on an ab initio potential energy surface obtained using neural network methods. The Journal of Chemical Physics. 124: 134306. PMID 16613454 DOI: 10.1063/1.2185638 |
0.54 |
|
| 2006 |
Doughan DI, Raff LM, Rockley MG, Hagan M, Agrawal PM, Komanduri R. Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feed-forward neural networks. The Journal of Chemical Physics. 124: 054321. PMID 16468883 DOI: 10.1063/1.2162170 |
0.545 |
|
| 2006 |
Bukkapatnam S, Malshe M, Agrawal PM, Raff LM, Komanduri R. Parametrization of interatomic potential functions using a genetic algorithm accelerated with a neural network Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.224102 |
0.443 |
|
| 2006 |
Agrawal PM, Sudalayandi BS, Raff LM, Komanduri R. A comparison of different methods of Young's modulus determination for single-wall carbon nanotubes (SWCNT) using molecular dynamics (MD) simulations Computational Materials Science. 38: 271-281. DOI: 10.1016/J.Commatsci.2006.02.011 |
0.407 |
|
| 2005 |
Agrawal PM, Samadh AN, Raff LM, Hagan MT, Bukkapatnam ST, Komanduri R. Prediction of molecular-dynamics simulation results using feedforward neural networks: reaction of a C2 dimer with an activated diamond (100) surface. The Journal of Chemical Physics. 123: 224711. PMID 16375499 DOI: 10.1063/1.2131069 |
0.447 |
|
| 2005 |
Raff LM, Malshe M, Hagan M, Doughan DI, Rockley MG, Komanduri R. Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks. The Journal of Chemical Physics. 122: 84104. PMID 15836017 DOI: 10.1063/1.1850458 |
0.498 |
|
| 2005 |
Agrawal PM, Raff LM, Komanduri R. Monte Carlo simulations of void-nucleated melting of silicon via modification in the Tersoff potential parameters Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.125206 |
0.447 |
|
| 2004 |
Komanduri R, Narulkar R, Raff LM. Monte Carlo simulation of nanometric cutting Philosophical Magazine. 84: 1155-1183. DOI: 10.1080/14786430310001646736 |
0.399 |
|
| 2004 |
Choo K, Ogawa Y, Kanbargi G, Otra V, Raff L, Komanduri R. Micromachining of silicon by short-pulse laser ablation in air and under water Materials Science and Engineering: A. 372: 145-162. DOI: 10.1016/J.Msea.2003.12.021 |
0.329 |
|
| 2004 |
Komanduri R, Lee M, Raff LM. The significance of normal rake in oblique machining International Journal of Machine Tools and Manufacture. 44: 1115-1124. DOI: 10.1016/J.Ijmachtools.2004.02.015 |
0.284 |
|
| 2003 |
Komanduri R, Chandrasekaran N, Raff LM. Molecular dynamic simulations of uniaxial tension at nanoscale of semiconductor materials for micro-electro-mechanical systems (MEMS) applications Materials Science and Engineering A. 340: 58-67. DOI: 10.1016/S0921-5093(02)00156-9 |
0.382 |
|
| 2002 |
Komanduri R, Raff LM, Chandrasekaran A. A combined Monte-Carlo-damped trajectory simulation of nanometric testing of fcc metals under uniaxial tension Philosophical Magazine Letters. 82: 247-256. DOI: 10.1080/09500830210127039 |
0.35 |
|
| 2001 |
Komanduri R, Chandrasekaran N, Raff LM. Molecular dynamics simulation of the nanometric cutting of silicon Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 81: 1989-2019. DOI: 10.1080/13642810108208555 |
0.301 |
|
| 2001 |
Rahaman A, Raff LM. Theoretical investigations of intramolecular energy transfer rates and pathways for vinyl bromide on an ab initio potential-energy surface Journal of Physical Chemistry A. 105: 2147-2155. DOI: 10.1021/Jp001696L |
0.714 |
|
| 2001 |
Rahaman A, Raff LM. Trajectory investigations of the dissociation dynamics of vinyl bromide on an ab initio potential-energy surface Journal of Physical Chemistry A. 105: 2156-2172. DOI: 10.1021/Jp001695T |
0.74 |
|
| 2001 |
Komanduri R, Chandrasekaran N, Raff LM. MD simulation of exit failure in nanometric cutting Materials Science and Engineering A. 311: 1-12. DOI: 10.1016/S0921-5093(01)00960-1 |
0.39 |
|
| 2001 |
Komanduri R, Chandrasekaran N, Raff LM. Molecular Dynamics (MD) simulation of uniaxial tension of some single-crystal cubic metals at nanolevel International Journal of Mechanical Sciences. 43: 2237-2260. DOI: 10.1016/S0020-7403(01)00043-1 |
0.255 |
|
| 2001 |
Komanduri R, Raff LM. A review on the molecular dynamics simulation of machining at the atomic scale Proceedings of the Institution of Mechanical Engineers, Part B: Journal of Engineering Manufacture. 215: 1639-1672. |
0.314 |
|
| 2000 |
Komanduri R, Chandrasekaran N, Raff LM. Molecular dynamics simulation of atomic-scale friction Physical Review B - Condensed Matter and Materials Physics. 61: 14007-14019. DOI: 10.1103/Physrevb.61.14007 |
0.41 |
|
| 2000 |
Komanduri R, Chandrasekaran N, Raff LM. M.D. simulation of nanometric cutting of single crystal aluminum-effect of crystal orientation and direction of cutting Wear. 242: 60-88. DOI: 10.1016/S0043-1648(00)00389-6 |
0.262 |
|
| 2000 |
Komanduri R, Chandrasekaran N, Raff LM. MD simulation of indentation and scratching of single crystal aluminum Wear. 240: 113-143. DOI: 10.1016/S0043-1648(00)00358-6 |
0.277 |
|
| 1999 |
Komanduri R, Chandrasekaran N, Raff LM. Some aspects of machining with negative-rake tools simulating grinding: A molecular dynamics simulation approach Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 79: 955-968. DOI: 10.1080/13642819908214852 |
0.336 |
|
| 1999 |
Berlin KD, Tyagi S, Rahaman A, Qiu F, Raff LM, Venkatramani L, Khan MA, Helm DVD, Yu V, Praliev KD. GEOMETRICAL OPTIMIZATIONS, NMR ANALYSES, AND NOVEL CRYSTAL STRUCTURES OF 3-OXA-7-BENZYL-7-AZABICYCLO[3.3.1]-NONAN-9-ONE AND 3-THIA-7-BENZYL-7-AZABICYCLO[3.3.1]-NONAN-9-ONE; STRUCTURAL ANALYSIS OF THE CORRESPONDING 3,7-DIHETERABICYCLO[3.3.l]NONANE HYDROPERCHLORATES Phosphorus Sulfur and Silicon and the Related Elements. 148: 97-116. DOI: 10.1080/10426509908037003 |
0.413 |
|
| 1999 |
Komanduri R, Chandrasekaran N, Raff LM. Orientation effects in nanometric cutting of single crystal materials: an MD simulation approach Cirp Annals - Manufacturing Technology. 48: 67-72. DOI: 10.1016/S0007-8506(07)63133-3 |
0.276 |
|
| 1998 |
Chandrasekaran N, Noori Khajavi A, Raff LM, Komanduri R. A new method for molecular dynamics simulation of nanometric cutting Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 77: 7-26. DOI: 10.1080/13642819808206380 |
0.311 |
|
| 1998 |
Komanduri R, Chandrasekaran N, Raff LM. Effect of tool geometry in nanometric cutting: A molecular dynamics simulation approach Wear. 219: 84-97. DOI: 10.1016/S0043-1648(98)00229-4 |
0.277 |
|
| 1997 |
Pan R, Raff LM. Intramolecular energy transfer rates for vinyl bromide and deuterium-substituted vinyl bromides from power spectrum line splittings Journal of Chemical Physics. 106: 1382-1390. DOI: 10.1063/1.473282 |
0.467 |
|
| 1997 |
Kay RD, Raff LM. Statistical and nonstatistical dynamics in the unimolecular decomposition of vinyl bromide Journal of Physical Chemistry A. 101: 1007-1017. DOI: 10.1021/Jp962624Q |
0.555 |
|
| 1997 |
Pan R, Raff LM. Classical variational transition state theory study of hydrogen atom diffusion dynamics in imperfect xenon matrices Journal of Physical Chemistry A. 101. DOI: 10.1021/Jp962215U |
0.467 |
|
| 1996 |
Clark MM, Raff LM, Scott HL. Kinetic Monte Carlo studies of early surface morphology in diamond film growth by chemical vapor deposition of methyl radical. Physical Review. B, Condensed Matter. 54: 5914-5919. PMID 9986558 DOI: 10.1103/Physrevb.54.5914 |
0.454 |
|
| 1996 |
Agrawal PM, Sorescu DC, Kay RD, Thompson DL, Raff LM, Conrey JB, Jameson AK. Spectral line shapes in systems undergoing continuous frequency modulation Journal of Chemical Physics. 105: 2686-2700. DOI: 10.1063/1.472132 |
0.348 |
|
| 1996 |
Clark MM, Raff LM, Scott HL. Hybrid Monte Carlo method for off-lattice simulation of processes involving steps with widely varying rates Computers in Physics. 10: 584. DOI: 10.1063/1.168583 |
0.433 |
|
| 1996 |
Pan R, Raff LM. Intramolecular energy transfer rates and pathways for vinyl bromide Journal of Physical Chemistry. 100: 8085-8092. DOI: 10.1021/Jp952528+ |
0.516 |
|
| 1996 |
Clark MM, Raff LM, Scott HL. Kinetic Monte Carlo studies of early surface morphology in diamond film growth by chemical vapor deposition of methyl radical Physical Review B - Condensed Matter and Materials Physics. 54: 5914-5919. |
0.363 |
|
| 1995 |
Sorescu DC, Thompson DL, Raff LM. Statistical effects in the thermal deazetization reaction of 2,3‐diazabicyclo(2.2.1)hept‐2‐ene Journal of Chemical Physics. 103: 5387-5393. DOI: 10.1063/1.470574 |
0.517 |
|
| 1995 |
Agrawal PM, Thompson DL, Raff LM. Theoretical studies of the effects of matrix composition, lattice temperature, and isotopic substitution on isomerization reactions of matrix-isolated HONO/Ar The Journal of Chemical Physics. 102: 7000-7005. DOI: 10.1063/1.469093 |
0.455 |
|
| 1995 |
Sorescu DC, Thompson DL, Raff LM. Molecular dynamics studies of the thermal decomposition of 2,3‐diazabicyclo(2.2.1)hept‐2‐ene Journal of Chemical Physics. 102: 7910-7924. DOI: 10.1063/1.468990 |
0.499 |
|
| 1995 |
Ebert ME, Abrash SA, Raff LM. Theoretical investigations of the reaction dynamics of gas-phase HBr + acetylene collisions Journal of Physical Chemistry. 99: 17691-17699. DOI: 10.1021/J100050A005 |
0.526 |
|
| 1995 |
Agrawal PM, Sorescu DC, Raff LM, Abrash SA. Theoretical investigations of vinyl bromide dissociation in Xe and Kr matrices Journal of Physical Chemistry. 99: 14959-14966. DOI: 10.1021/J100041A009 |
0.546 |
|
| 1995 |
Mains GJ, Raff LM, Abrash SA. Theoretical studies of the photolytic decomposition of vinyl bromide at 193 nm Journal of Physical Chemistry. 99: 3532-3539. DOI: 10.1021/J100011A021 |
0.502 |
|
| 1995 |
Abrash SA, Zehner RW, Mains GJ, Raff LM. Theoretical studies of the thermal gas-phase decomposition of vinyl bromide on the ground-state potential-energy surface Journal of Physical Chemistry. 99: 2959-2977. DOI: 10.1021/J100010A005 |
0.58 |
|
| 1995 |
Sorescu DC, Thompson DL, Raff LM. Statistical effects in the thermal deazetization reaction of 2,3-diazabicyclo(2.2.1)hept-2-ene The Journal of Chemical Physics. 103: 5387-5393. |
0.459 |
|
| 1995 |
Sorescu DC, Thompson DL, Raff LM. Molecular dynamics studies of the thermal decomposition of 2,3-diazabicyclo(2.2.1)hept-2-ene The Journal of Chemical Physics. 102: 7910-7924. |
0.476 |
|
| 1994 |
Agrawal PM, Thompson DL, Raff LM. Theoretical investigation of nonstatistical dynamics, energy transfer, and intramolecular vibrational relaxation in isomerization reactions of matrix-isolated HONO/Xe The Journal of Chemical Physics. 101: 9937-9945. DOI: 10.1063/1.467895 |
0.477 |
|
| 1994 |
Sorescu DC, Thompson DL, Raff LM. Diffusion of hydrogen atoms on a Si(111)-(7×7) reconstructed surface: Monte Carlo variational phase-space theory The Journal of Chemical Physics. 101: 1638-1647. DOI: 10.1063/1.467785 |
0.493 |
|
| 1994 |
Sorescu DC, Thompson DL, Raff LM. Statistical effects in the skeletal inversion of bicyclo(2.1.0) pentane The Journal of Chemical Physics. 101: 3729-3741. DOI: 10.1063/1.467557 |
0.497 |
|
| 1994 |
Chang XY, Thompson DL, Raff LM. Hydrogen-atom migration on a diamond (111) surface The Journal of Chemical Physics. 100: 1765-1766. DOI: 10.1063/1.467254 |
0.456 |
|
| 1994 |
Perry MD, Mains GJ, Raff LM. Theoretical investigations of hydrogen atom diffusion rates in xenon matrices Journal of Physical Chemistry. 98: 13766-13771. DOI: 10.1021/J100102A050 |
0.483 |
|
| 1994 |
Chang XY, Bintz KL, Thompson DL, Raff LM. Classical intramolecular energy-transfer rates using Fourier transform methods: Four-atom systems Journal of Physical Chemistry. 98: 6317-6323. DOI: 10.1021/J100076A014 |
0.473 |
|
| 1994 |
Perry MD, Raff LM. Theoretical studies of elementary chemisorption reactions on an activated diamond (111) terrace Journal of Physical Chemistry. 98: 8128-8133. DOI: 10.1021/J100067A027 |
0.414 |
|
| 1994 |
Perry MD, Raff LM. Theoretical studies of elementary chemisorption reactions on an activated diamond ledge surface Journal of Physical Chemistry. 98: 4375-4381. |
0.328 |
|
| 1993 |
Chang XY, Perry M, Peploski J, Thompson DL, Raff LM. Theoretical studies of hydrogen-abstraction reactions from diamond and diamond-like surfaces The Journal of Chemical Physics. 99: 4748-4758. DOI: 10.1063/1.466046 |
0.518 |
|
| 1993 |
Ford MB, Foxworthy AD, Mains GJ, Raff LM. Theoretical investigations of ozone vibrational relaxation and oxygen atom diffusion rates in Ar and xenon matrixes The Journal of Physical Chemistry. 97: 12134-12143. DOI: 10.1021/J100149A006 |
0.431 |
|
| 1993 |
Chang XY, Thompson DL, Raff LM. Minimum-energy paths for elementary reactions in low-pressure diamond-film formation Journal of Physical Chemistry. 97: 10112-10118. DOI: 10.1021/J100141A036 |
0.464 |
|
| 1993 |
Chang X, Thompson DL, Raff LM. Intramolecular energy transfer rates using Fourier transform methods Chemical Physics Letters. 206: 137-142. DOI: 10.1016/0009-2614(93)85530-2 |
0.464 |
|
| 1993 |
Ford MB, Foxworthy AD, Mains GJ, Raff LM. Theoretical investigations of O3 vibrational relaxation and oxygen atom diffusion rates in Ar and Xe matrices Journal of Physical Chemistry. 97: 12134-12143. |
0.308 |
|
| 1992 |
Raff LM. Effects of lattice morphology upon reaction dynamics in matrix-isolated systems The Journal of Chemical Physics. 97: 7459-7470. DOI: 10.1063/1.463517 |
0.498 |
|
| 1992 |
Chang XY, Sewell TD, Raff LM, Thompson DL. Power spectra as a diagnostic tool in probing statistical/nonstatistical behavior in unimolecular reactions The Journal of Chemical Physics. 97: 7354-7361. DOI: 10.1063/1.463506 |
0.446 |
|
| 1992 |
Peploski J, Thompson DL, Raff LM. Molecular dynamics studies of elementary surface reactions of acetylene and ethynyl radical in low-pressure diamond-film formation The Journal of Physical Chemistry. 96: 8538-8544. DOI: 10.1021/J100200A060 |
0.469 |
|
| 1992 |
Spath BW, Raff LM. Phenomenological and Monte Carlo models for diffusion-controlled bimolecular reactions in matrices Journal of Physical Chemistry. 96: 2179-2185. DOI: 10.1021/J100184A028 |
0.413 |
|
| 1992 |
Peploski J, Thompson DL, Raff LM. Molecular dynamics studies of elementary surface reactions of C2H2 and C2H in low-pressure diamond-film formation Journal of Physical Chemistry. 96: 8538-8544. |
0.392 |
|
| 1991 |
Schranz HW, Raff LM, Thompson DL. Intramolecular energy transfer and mode-specific effects in unimolecular reactions of disilane The Journal of Chemical Physics. 95: 102-105. DOI: 10.1063/1.461466 |
0.479 |
|
| 1991 |
Sewell TD, Schranz HW, Thompson DL, Raff LM. Comparisons of statistical and nonstatistical behavior for bond fission reactions in 1,2-difluoroethane, disilane, and the 2-chloroethyl radical Journal of Chemical Physics. 95: 8089-8107. DOI: 10.1063/1.461289 |
0.48 |
|
| 1991 |
Raff LM. Theoretical studies of the reaction dynamics of the matrix‐isolated F2+cis‐d2 ‐ethylene system Journal of Chemical Physics. 95: 8901-8918. DOI: 10.1063/1.461223 |
0.456 |
|
| 1991 |
Schranz HW, Raff LM, Thompson DL. Statistical and nonstatistical effects in bond fission reactions of SiH2 and Si2H6 The Journal of Chemical Physics. 94: 4219-4229. DOI: 10.1063/1.460630 |
0.493 |
|
| 1991 |
Agrawal PM, Thompson DL, Raff LM. Comparison of silicon‐atom diffusion on the dimer–adatom‐stacking fault and Binnig et al. models of the reconstructed Si(111)‐(7×7) surface Journal of Chemical Physics. 94: 6243-6249. DOI: 10.1063/1.460413 |
0.441 |
|
| 1991 |
Schranz HW, Raff LM, Thompson DL. Non-statistical effects in bond fission reactions of 1,2-difluoroethane Chemical Physics Letters. 182: 455-462. DOI: 10.1016/0009-2614(91)90107-K |
0.526 |
|
| 1991 |
Raff LM. Theoretical studies of the reaction dynamics of the matrix-isolated F 2 + cis-d2-ethylene system The Journal of Chemical Physics. 95: 8901-8918. |
0.421 |
|
| 1991 |
Agrawal PM, Thompson DL, Raff LM. Comparison of silicon-atom diffusion on the dimer-adatom-stacking fault and Binnig et al. models of the reconstructed Si(111)-(7×7) surface The Journal of Chemical Physics. 94: 6243-6249. |
0.379 |
|
| 1990 |
Raff LM. Energy transfer and reaction dynamics of matrix‐isolated 1,2‐difluoroethane‐d4 Journal of Chemical Physics. 93: 3160-3176. DOI: 10.1063/1.459693 |
0.483 |
|
| 1990 |
Kay RD, Raff LM, Thompson DL. Trajectory study of Si4 formation and decay and of exchange and abstraction reactions in Si+Si3 collisions Journal of Chemical Physics. 93: 6607-6619. DOI: 10.1063/1.458954 |
0.457 |
|
| 1990 |
Martin DL, Raff LM, Thompson DL. Silicon dimer formation by three-body recombination The Journal of Chemical Physics. 92: 5311-5318. DOI: 10.1063/1.458602 |
0.453 |
|
| 1990 |
Riley ME, Coltrin ME, Diestler DJ, Jezercak M, Agrawal PM, Thompson DL, Raff LM. Comment on ‘‘A perturbation–trajectory method for the study of gas–surface collision dynamics’’ Journal of Chemical Physics. 92: 817-818. DOI: 10.1063/1.458393 |
0.355 |
|
| 1990 |
Agrawal PM, Thompson DL, Raff LM. Unimolecular dissociation dynamics of disilane The Journal of Chemical Physics. 92: 1069-1082. DOI: 10.1063/1.458169 |
0.513 |
|
| 1990 |
Schranz HW, Raff LM, Thompson DL. Correspondence of canonical and microcanonical rate constants using variational transition state theory for simple bond fissions Chemical Physics Letters. 171: 68-76. DOI: 10.1016/0009-2614(90)80052-F |
0.403 |
|
| 1990 |
Raff LM. Energy transfer and reaction dynamics of matrix-isolated 1,2-difluoroethane-d4 The Journal of Chemical Physics. 93: 3160-3176. |
0.445 |
|
| 1990 |
Kay RD, Raff LM, Thompson DL. Trajectory study of Si4 formation and decay and of exchange and abstraction reactions in Si + Si3 collisions The Journal of Chemical Physics. 93: 6607-6619. |
0.421 |
|
| 1990 |
Riley ME, Coltrin ME, Diestler DJ, Jezercak M, Agrawal PM, Thompson DL, Raff LM. Comment on "a perturbation-trajectory method for the study of gas-surface collision dynamics" [12] The Journal of Chemical Physics. 92: 817-818. |
0.325 |
|
| 1989 |
Agrawal PM, Thompson DL, Raff LM. Computational studies of heterogeneous reactions of SiH2 on reconstructed Si(111)–(7×7) and Si(111)–(1×1) surfaces Journal of Chemical Physics. 91: 5021-5029. DOI: 10.1063/1.457618 |
0.485 |
|
| 1989 |
Agrawal PM, Thompson DL, Raff LM. Variational phase‐space theory studies of silicon‐atom diffusion on reconstructed Si(111)‐(7×7) surfaces Journal of Chemical Physics. 91: 6463-6471. DOI: 10.1063/1.457362 |
0.463 |
|
| 1989 |
Raff LM. Intramolecular energy transfer and mode-specific effects in unimolecular reactions of 1,2-difluoroethane The Journal of Chemical Physics. 90: 6313-6319. DOI: 10.1063/1.456347 |
0.489 |
|
| 1989 |
Jezercak M, Agrawal PM, Thompson DL, Raff LM. A perturbation-trajectory method for the study of gas-surface collision dynamics The Journal of Chemical Physics. 90: 3363-3372. DOI: 10.1063/1.455890 |
0.492 |
|
| 1989 |
Agrawal PM, Thompson DL, Raff LM. Variational phase-space theory studies of silicon-atom diffusion on reconstructed Si(111)-(7×7) surfaces The Journal of Chemical Physics. 91: 6463-6471. |
0.317 |
|
| 1989 |
Agrawal PM, Thompson DL, Raff LM. Computational studies of heterogeneous reactions of SiH2 on reconstructed Si(111)-(7X7) and Si(111)-(1X1) surfaces The Journal of Chemical Physics. 91: 5021-5029. |
0.38 |
|
| 1988 |
Raff LM. Projection methods for obtaining intramolecular energy transfer rates from classical trajectory results: Application to 1,2-difluoroethane The Journal of Chemical Physics. 89: 5680-5691. DOI: 10.1063/1.455575 |
0.483 |
|
| 1988 |
Agrawal PM, Thompson DL, Raff LM. Trajectory studies of unimolecular reactions of Si2H4 and SiH2 on a global potential surface fitted to abinitio and experimental data Journal of Chemical Physics. 89: 741-750. DOI: 10.1063/1.455197 |
0.538 |
|
| 1988 |
Gai H, Thompson DL, Raff LM. Trajectory study of the formation and decay of silicon trimer complexes in monomer-dimer collisions The Journal of Chemical Physics. 88: 156-162. DOI: 10.1063/1.454647 |
0.495 |
|
| 1988 |
Agrawal PM, Thompson DL, Raff LM. Computational studies of SiH2+SiH2 recombination reaction dynamics on a global potential surface fitted to abinitio and experimental data Journal of Chemical Physics. 88: 5948-5962. DOI: 10.1063/1.454508 |
0.563 |
|
| 1988 |
Rice BM, Raff LM, Thompson DL. Diffusion of H atoms on a Si(111) surface with partial hydrogen coverage: Monte Carlo variational phase-space theory with tunneling correction The Journal of Chemical Physics. 88: 7221-7231. DOI: 10.1063/1.454374 |
0.508 |
|
| 1988 |
Jezercak M, Agrawal PM, Smith CB, Raff LM. Wave packet studies of gas-surface inelastic scattering and desorption rates The Journal of Chemical Physics. 88: 1264-1271. DOI: 10.1063/1.454248 |
0.502 |
|
| 1988 |
Gettys NS, Raff LM, Thompson DL. Atom exchange reactions in collisions of noble gas atoms and dimers The Journal of Physical Chemistry. 92: 5270-5272. DOI: 10.1021/J100329A040 |
0.413 |
|
| 1988 |
Raff LM, Graham RW. Unimolecular dissociation dynamics of 1,2-difluoroethane and of the ethene-fluorine van der Waals complex The Journal of Physical Chemistry. 92: 5111-5120. DOI: 10.1021/J100329A012 |
0.409 |
|
| 1988 |
Raff LM. Computational studies of the bimolecular reaction dynamics of the ethene + fluoride system The Journal of Physical Chemistry. 92: 141-147. DOI: 10.1021/J100312A031 |
0.423 |
|
| 1988 |
Agrawal PM, Thompson DL, Raff LM. Computational studies of heterogeneous reactions of SiH2 on Si(111) surfaces Surface Science. 195: 283-306. DOI: 10.1016/0039-6028(88)90797-2 |
0.547 |
|
| 1988 |
Rice BM, Raff LM, Thompson DL. Dynamics of chemisorption/scattering of atomic hydrogen on partially covered Si(111) surfaces Surface Science. 198: 360-399. DOI: 10.1016/0039-6028(88)90373-1 |
0.503 |
|
| 1988 |
Raff LM. Computational studies of the bimolecular reaction dynamics of the C2H4 + F2 system Journal of Physical Chemistry. 92: 141-147. |
0.429 |
|
| 1988 |
Raff LM, Graham RW. Unimolecular dissociation dynamics of 1,2-difluoroethane and of the C2H4-F2 van der Waals complex Journal of Physical Chemistry. 92: 5111-5120. |
0.25 |
|
| 1988 |
Agrawal PM, Thompson DL, Raff LM. Trajectory studies of unimolecular reactions of Si2H4 and SiH2 on a global potential surface fitted to ab initio and experimental data The Journal of Chemical Physics. 89: 741-750. |
0.447 |
|
| 1988 |
Agrawal PM, Thompson DL, Raff LM. Computational studies of SiH2+SiH2 recombination reaction dynamics on a global potential surface fitted to ab initio and experimental data The Journal of Chemical Physics. 88: 5948-5962. |
0.473 |
|
| 1988 |
Gettys NS, Raff LM, Thompson DL. Atom-exchange reactions in collisions of noble-gas atoms and dimers Journal of Physical Chemistry. 92: 5270-5272. |
0.423 |
|
| 1987 |
Raff LM, NoorBatcha I, Thompson DL. Erratum: Monte Carlo variational transition‐state theory study of recombination and desorption of hydrogen on Si(111) [J. Chem. Phys. 85, 3081 (1986)] Journal of Chemical Physics. 86: 2448-2448. DOI: 10.1063/1.452783 |
0.404 |
|
| 1987 |
Rice BM, NoorBatcha I, Thompson DL, Raff LM. The dynamics of dissociative chemisorption of H2 on a Si(111) surface The Journal of Chemical Physics. 86: 1608-1615. DOI: 10.1063/1.452200 |
0.538 |
|
| 1987 |
Raff LM, Thompson DL. Reply to the ‘‘Comment on silane pyrolysis and the insertion of silylene into molecular hydrogen’’ Journal of Chemical Physics. 86: 3058-3058. DOI: 10.1063/1.452015 |
0.348 |
|
| 1987 |
Raff LM. A semiempirical potential-energy surface for the 1,2-difluoroethane system The Journal of Physical Chemistry. 91: 3266-3272. DOI: 10.1021/J100296A033 |
0.478 |
|
| 1987 |
Agrawal PM, Raff LM, Thompson DL. Effect of the lattice model on the dynamics of dissociative chemisorption of H2 on a Si(111) surface Surface Science. 188: 402-420. DOI: 10.1016/S0039-6028(87)80197-8 |
0.533 |
|
| 1987 |
Raff LM. A semiempirical potential-energy surface for the C2H4F2 system Journal of Physical Chemistry. 91: 3266-3272. |
0.314 |
|
| 1987 |
Raff LM, Thompson DL. THEORETICAL STUDIES OF ELEMENTARY PROCESSES IN THE CHEMICAL VAPOR DEPOSITION OF SILICON FROM SILANE . 1: 603-611. |
0.422 |
|
| 1987 |
Raff LM, Thompson DL. Reply to the "comment on silane pyrolysis and the insertion of silylene into molecular hydrogen" [8] The Journal of Chemical Physics. 86: 3058. |
0.259 |
|
| 1986 |
Rice BM, Raff LM, Thompson DL. Classical trajectory study of the unimolecular dissociation of ammonia The Journal of Chemical Physics. 85: 4392-4399. DOI: 10.1063/1.451859 |
0.534 |
|
| 1986 |
Raff LM, Noorbatcha I, Thompson DL. Monte Carlo variational transition-state theory study of recombination and desorption of hydrogen on Si(111) The Journal of Chemical Physics. 85: 3081-3089. DOI: 10.1063/1.451016 |
0.545 |
|
| 1986 |
Arnold C, Gettys NS, Thompson DL, Raff LM. Theoretical studies of vibrationally assisted reactions of the O3 ⋅ NO van der Waals complex The Journal of Chemical Physics. 84: 3803-3813. DOI: 10.1063/1.450091 |
0.472 |
|
| 1986 |
NoorBatcha I, Raff LM, Thompson DL, Viswanathan R. Dynamics of unimolecular dissociation of silylene The Journal of Chemical Physics. 84: 4341-4346. DOI: 10.1063/1.450056 |
0.537 |
|
| 1986 |
Martin DL, Thompson DL, Raff LM. Theoretical studies of termolecular thermal recombination of silicon atoms The Journal of Chemical Physics. 84: 4426-4428. DOI: 10.1002/Chin.198630027 |
0.485 |
|
| 1985 |
NoorBatcha I, Raff LM, Thompson DL. Effect of lattice potential upon the surface diffusion of Si on Si(100) The Journal of Chemical Physics. 83: 6009-6011. DOI: 10.1063/1.449635 |
0.468 |
|
| 1985 |
NoorBatcha I, Raff LM, Thompson DL. Monte Carlo random walk study of recombination and desorption of hydrogen on Si(111) The Journal of Chemical Physics. 83: 1382-1391. DOI: 10.1063/1.449456 |
0.541 |
|
| 1985 |
Smith CB, Raff LM, Agrawal PM. Semiclassical wave packet studies of elastic and inelastic atom-surface scattering from a 3D model surface The Journal of Chemical Physics. 83: 1411-1420. DOI: 10.1063/1.449408 |
0.476 |
|
| 1985 |
NoorBatcha I, Raff LM, Thompson DL. Erratum: Classical trajectory study of adsorption and surface diffusion of Si on Si(100) [J. Chem. Phys. 81, 3715 (1984)] Journal of Chemical Physics. 82: 5762-5762. DOI: 10.1063/1.448989 |
0.406 |
|
| 1985 |
Noorbatcha I, Raff LM, Thompson DL. A phenomenological approach to the calculation of the diffusion coefficient for Si on Si(111) using classical trajectories The Journal of Chemical Physics. 82: 1543-1550. DOI: 10.1063/1.448429 |
0.447 |
|
| 1985 |
Viswanathan R, Thompson DL, Raff LM. A valence-bond potential-energy surface for silylene dissociation Journal of Physical Chemistry. 89: 1428-1432. DOI: 10.1021/J100254A025 |
0.547 |
|
| 1985 |
Sudhakaran MP, Raff LM. Quasiclassical trajectory studies of H(D)+HBr(DBr) abstraction and exchange reactions Chemical Physics. 95: 165-177. DOI: 10.1016/0301-0104(85)80069-0 |
0.473 |
|
| 1985 |
Arnold C, Gettys NS, Thompson DL, Raff LM. Theoretical studies of vibrationally assisted reactions of the O 3·NO van der Waals complex The Journal of Chemical Physics. 84: 3803-3813. |
0.412 |
|
| 1984 |
Viswanathan R, Raff LM, Thompson DL. Monte Carlo transition-state study of angular momentum effects on the unimolecular dissociation of CH4 on the Duchovic-Hase-Schlegel ab initio surface The Journal of Chemical Physics. 82: 3083-3087. DOI: 10.1063/1.448257 |
0.55 |
|
| 1984 |
Viswanathan R, Thompson DL, Raff LM. Erratum: Theoretical investigations of elementary processes in the chemical vapor deposition of silicon from silane. Unimolecular decomposition of SiH4 [J. Chem. Phys. 80, 4230 (1984)] Journal of Chemical Physics. 81: 3363-3363. DOI: 10.1063/1.448200 |
0.381 |
|
| 1984 |
Noorbatcha I, Raff LM, Thompson DL. Classical trajectory study of adsorption and surface diffusion of Si on Si(100) The Journal of Chemical Physics. 81: 3715-3721. DOI: 10.1063/1.448122 |
0.437 |
|
| 1984 |
Viswanathan R, Raff LM, Thompson DL. Monte Carlo random walk calculations of unimolecular dissociation of methane The Journal of Chemical Physics. 81: 3118-3121. DOI: 10.1063/1.448014 |
0.475 |
|
| 1984 |
Viswanathan R, Raff LM, Thompson DL. Monte Carlo transition‐state theory: XH4→XH3+H (X=C, Si) Journal of Chemical Physics. 81: 828-832. DOI: 10.1063/1.447716 |
0.502 |
|
| 1984 |
NoorBatcha I, Raff LM, Thompson DL. Cage effect in the dissociation of van der Waals complexes RgI2 (Rg=Ar, Kr, Xe): A quasiclassical trajectory study Journal of Chemical Physics. 81: 5658-5665. DOI: 10.1063/1.447617 |
0.497 |
|
| 1984 |
Viswanathan R, Thompson DL, Raff LM. Theoretical investigations of elementary processes in the chemical vapor deposition of silicon from silane. Unimolecular decomposition of SiH4 Journal of Chemical Physics. 80: 4230-4240. DOI: 10.1063/1.447254 |
0.553 |
|
| 1984 |
Turner RA, Raff LM, Thompson DL. Theoretical studies of tunneling processes in three-body exchange reactions of van der Waals rare gas dimers The Journal of Chemical Physics. 80: 3189-3196. DOI: 10.1063/1.447117 |
0.509 |
|
| 1984 |
Agrawal PM, Agrawal NC, Viswanathan R, Raff LM. Rate calculations from time-dependent wave packet methods: The relationship of the pure state and canonical total reaction probability The Journal of Chemical Physics. 80: 760-764. DOI: 10.1063/1.446783 |
0.429 |
|
| 1984 |
Viswanathan R, Raff LM, Thompson DL. Monte Carlo transition-state theory: XH4→XH 3+H(X=C,Si) The Journal of Chemical Physics. 81: 828-832. |
0.434 |
|
| 1984 |
Viswanathan R, Thompson DL, Raff LM. Theoretical investigations of elementary processes in the chemical vapor deposition of silicon from silane. Unimolecular decomposition of SiH4 The Journal of Chemical Physics. 80: 4230-4240. |
0.266 |
|
| 1984 |
NoorBatcha I, Raff LM, Thompson DL. Cage effect in the dissociation of van der Waals complexes RgI2 (Rg = Ar, Kr, Xe): A quasiclassical trajectory study The Journal of Chemical Physics. 81: 5658-5665. |
0.271 |
|
| 1983 |
Viswanathan R, Raff LM, Thompson DL. Theoretical studies of van der Waals dimer depletion mechanisms in free jet expansions: The Ar2+X (X=CO2, CO, N2) systems Journal of Chemical Physics. 79: 2857-2868. DOI: 10.1063/1.446108 |
0.46 |
|
| 1983 |
Raff LM, Viswanathan R, Thompson DL. Unimolecular dissociation of methane: A trajectory study using Metropolis sampling The Journal of Chemical Physics. 80: 6141-6149. DOI: 10.1002/Chin.198441109 |
0.353 |
|
| 1983 |
Viswanathan R, Raff LM. Theoretical investigations of the reaction dynamics of polyatomic gas-phase systems: The O3 + NO reaction Journal of Physical Chemistry. 87: 3251-3266. |
0.464 |
|
| 1983 |
Viswanathan R, Raff LM, Thompson DL. Theoretical studies of van der Waals dimer depletion mechanisms in free jet expansions: The Ar2+X (X=CO2, CO, N2) systems The Journal of Chemical Physics. 79: 2857-2868. |
0.39 |
|
| 1982 |
Viswanathan R, Raff LM, Thompson DL. Perturbation‐wave packet studies of vibrational predissociation in collinear X–BC van der Waals complexes: He⋅⋅⋅I2(B 3Π) Journal of Chemical Physics. 77: 3939-3945. DOI: 10.1063/1.444347 |
0.415 |
|
| 1982 |
Martin DL, Raff LM. A general procedure for classical variational rate calculations for three-body exchange reactions The Journal of Chemical Physics. 77: 1235-1247. DOI: 10.1063/1.443999 |
0.5 |
|
| 1982 |
Raff LM, Thompson DL. Mechanisms of atom-exchange reactions in rare gas atom–diatom collisions: Kr+NeAr, Ar+ArKr, Kr+Ar2, Xe+Ar2 Journal of Chemical Physics. 77: 6065-6075. DOI: 10.1063/1.443850 |
0.481 |
|
| 1982 |
Thompson DL, Raff LM. Quasiclassical trajectory and statistical studies of atom exchange and dissociation in Ar+Ar2, Ar+Ne2, and Ar+ArKr collisions Journal of Chemical Physics. 76: 301-310. DOI: 10.1063/1.442673 |
0.518 |
|
| 1982 |
Thompson DL, Raff LM. Quasiclassical trajectory and statistical studies of atom exchange and dissociation in Ar+Ar2, ArH-Ne2, and Ar+ArKr collisions The Journal of Chemical Physics. 76: 301-310. |
0.44 |
|
| 1982 |
Agrawal PM, Raff LM. A semiclassical wave packet model for the investigation of elastic and inelastic gas-surface scattering The Journal of Chemical Physics. 77: 3946-3952. |
0.369 |
|
| 1982 |
Viswanathan R, Raff LM, Thompson DL. Perturbation wave packet studies of vibrational predissociation in collinear X-BC van der Waals complexes: He⋯I2(S 3II) The Journal of Chemical Physics. 77: 3939-3945. |
0.322 |
|
| 1981 |
Viswanathan R, Raff LM, Agrawal PM. Comparison of modified infinite-order sudden theory with experimentally measured state-to-state cross sections for R↔T energy transfer in Ar+HF The Journal of Chemical Physics. 75: 3860-3863. DOI: 10.1063/1.442541 |
0.444 |
|
| 1981 |
Agrawal PM, Raff LM. Calculation of reaction probabilities and rate coefficients for collinear three-body exchange reactions using time-dependent wave packet methods The Journal of Chemical Physics. 74: 5076-5081. |
0.439 |
|
| 1981 |
Agrawal PM, Raff LM. IOSA investigations of the effects of potential surface topography upon elastic and inelastic scattering and rotational relaxation in the (He, CO 2) system The Journal of Chemical Physics. 75: 2163-2176. |
0.385 |
|
| 1981 |
Agrawal PM, Raff LM. Consideration of the exit channel velocity effect upon inelastic cross sections computed by the infinite-order sudden approximation The Journal of Chemical Physics. 74: 3292-3294. |
0.346 |
|
| 1981 |
Lorenzen J, Raff LM. A comparison of detailed lattice model gas-solid theory with molecular-beam data: Scattered velocity distributions for an Ar/W system The Journal of Chemical Physics. 74: 3929-3932. |
0.348 |
|
| 1980 |
Stroud C, Raff LM. Effects of surface topography upon reaction dynamics: the Ne + H+2 (ν = 0,1,2) → NeH+ +H reaction Chemical Physics. 46: 313-319. DOI: 10.1016/0301-0104(80)85208-6 |
0.373 |
|
| 1980 |
Stroud CL, Raff LM. Theoretical investigations of rotationally inelastic collisions in the CO2+He system using ab initio, electron-gas, and " experimental" potential-energy surfaces The Journal of Chemical Physics. 72: 5479-5488. |
0.382 |
|
| 1979 |
Bush PS, Raff LM. Atomic beam diffraction and scattering from A (3×5) W (110)-carbide surface The Journal of Chemical Physics. 70: 5026-5039. |
0.328 |
|
| 1979 |
Sathyamurthy N, Raff LM. Inelastic scattering calculations in polyatomic systems using an ab initio intermolecular potential energy surface. II. Rotational energy transfer in CO2-H2 collisions The Journal of Chemical Physics. 72: 3163-3178. |
0.42 |
|
| 1977 |
Sathyamurthy N, Duff JW, Stroud C, Raff LM. On the origin of the dynamical differences on the diatomics-in-molecules and spline-fitted ab initio surfaces for the He+H 2 + reaction Journal of Chemical Physics. 67: 3563-3569. DOI: 10.1063/1.435355 |
0.743 |
|
| 1977 |
Gorin G, Lehman C, Mannan CA, Raff LM, Scheppele SE. Radiolysis of adenine in dilute neutral aqueous solution Journal of Physical Chemistry. 81: 304-307. DOI: 10.1021/j100519a005 |
0.181 |
|
| 1977 |
Stroud C, Sathyamurthy N, Rangarajan R, Raff LM. Quantum mechanical scattering calculations on a spline-fitted ab initio surface: the He + H+2 (ν = 0, 1, 2) → HeH+ + H reaction Chemical Physics Letters. 48: 350-353. DOI: 10.1016/0009-2614(77)80330-8 |
0.751 |
|
| 1977 |
Sathyamurthy N, Duff JW, Stroud C, Raff LM. On the origin of the dynamical differences on the diatomics-in-molecules and spline-fitted ab initio surfaces for the He+H2+ reaction The Journal of Chemical Physics. 67: 3563-3569. |
0.45 |
|
| 1976 |
Thompson DL, Suzukawa HH, Raff LM. Reply to Heidner and Bott’s comments on ’’A paradox: The thermal rate coefficient for the H+DCl→HCl+D exchange reaction’’ Journal of Chemical Physics. 64: 2269-2270. DOI: 10.1063/1.432424 |
0.375 |
|
| 1976 |
Sathyamurthy N, Rangarajan R, Raff LM. Reactive scattering calculations on a splinefitted ab initio surface: The He+H+2(v=0,1,2) →HeH++H reaction Journal of Chemical Physics. 64: 4606-4611. DOI: 10.1063/1.432095 |
0.747 |
|
| 1976 |
Sathyamurthy N, Raff LM. Inelastic scattering calculations in polyatomic systems using an ab initio intermolecular potential energy surface: The CO2(0,0,1,0)+H 2(D2)→CO2(0,0,0,0)+H2(D 2) systems The Journal of Chemical Physics. 66: 2191-2211. |
0.431 |
|
| 1976 |
Sathyamurthy N, Rangarajan R, Raff LM. Reactive scattering calculations on a splinefitted ab initio surface: The He+H2+(ν=0,1,2)→HeH++H reaction The Journal of Chemical Physics. 64: 4606-4611. |
0.472 |
|
| 1976 |
Gorin G, Ohno N, Raff LM. Radiolysis of cytosine in dilute neutral aqueous solution Journal of Physical Chemistry. 80: 112-119. |
0.181 |
|
| 1976 |
Kellerhals GE, Sathyamurthy N, Raff LM. Comparison of quantum mechanical and quasiclassical scattering as a function of surface topology The Journal of Chemical Physics. 64: 818-825. |
0.451 |
|
| 1976 |
Sathyamurthy N, Kellerhals GE, Raff LM. Quantum mechanical scattering studies using 2D cubic spline interpolation of a potential-energy surface The Journal of Chemical Physics. 64: 2259-2261. |
0.349 |
|
| 1976 |
Thompson DL, Suzukawa HH, Raff LM. Reply to Heidner and Bott's comments on "a paradox: The thermal rate coefficient for the H+DCl→HCl+D exchange reaction", The Journal of Chemical Physics. 64: 2269-2270. |
0.32 |
|
| 1975 |
Porter RN, Raff LM, Miller WH. Quasiclassical selection of initial coordinates and momenta for a rotating Morse oscillator The Journal of Chemical Physics. 63: 2214-2218. DOI: 10.1063/1.431603 |
0.339 |
|
| 1975 |
Raff LM, Suzukawa HH, Thompson DL. Quasiclassical trajectory study of the molecular beam kinetics of the deuterium atom-hydrogen halide exchange reactions The Journal of Chemical Physics. 62: 3743-3746. DOI: 10.1063/1.430971 |
0.456 |
|
| 1975 |
Porter RN, Thompson DL, Raff LM, White JM. Comparison of the combined phase‐space/trajectory and quasiclassical trajectory methods in the study of reaction dynamics: H + I2 and H + Br2 Journal of Chemical Physics. 62: 2429-2445. DOI: 10.1063/1.430742 |
0.468 |
|
| 1975 |
Su HY, White JM, Raff LM, Thompson DL. Abstraction versus exchange in the reaction of H with DBr The Journal of Chemical Physics. 62: 1435-1443. DOI: 10.1063/1.430601 |
0.494 |
|
| 1975 |
Thompson DL, Suzukawa HH, Raff LM. A paradox: The thermal rate coefficient for the H+DCl --> HCl+D exchange reaction Journal of Chemical Physics. 62: 4727-4739. DOI: 10.1063/1.430421 |
0.439 |
|
| 1975 |
Rice RN, Gorin G, Raff LM. Radiolysis of compounds in solution. Model calculations on the effects of concentration, impurity, and dose rate Journal of Physical Chemistry. 79: 2717-2722. |
0.242 |
|
| 1975 |
Thompson DL, Suzukawa HH, Raff LM. A paradox: The thermal rate coefficient for the H+DCl→HCl+D exchange reaction The Journal of Chemical Physics. 62: 4727-4739. |
0.434 |
|
| 1974 |
Raff LM. Theoretical investigations of the reaction dynamics of polyatomic systems: Chemistry of the hot atom (T* + CH4) and (T* + CD4) systems Journal of Chemical Physics. 60: 2220-2244. DOI: 10.1063/1.1681351 |
0.417 |
|
| 1974 |
Raff LM. Illustration of reaction mechanism in polyatomic systems via computer movies Journal of Chemical Education. 51: 712-716. |
0.289 |
|
| 1974 |
Sathyamurthy N, Raff LM. Quasiclassical trajectory studies using 3D spline interpolation of ab initio surfaces The Journal of Chemical Physics. 61: 464-473. |
0.407 |
|
| 1973 |
Porter RN, Sims LB, Thompson DL, Raff LM. Classical dynamical investigations of reaction mechanism in three-body hydrogen-halogen systems The Journal of Chemical Physics. 58: 2855-2869. DOI: 10.1063/1.1679589 |
0.511 |
|
| 1973 |
Raff LM, Stivers L, Porter RN, Thompson DL, Sims LB. Erratum: Semiempirical VB calculation of the (H2I2) interaction potential The Journal of Chemical Physics. 58: 1271-1271. DOI: 10.1063/1.1679328 |
0.392 |
|
| 1973 |
Freihaut B, Raff LM. Valence-bond study of the (H2, D2) exchange reaction mechanism The Journal of Chemical Physics. 966-978. |
0.34 |
|
| 1972 |
Raff LM, Thompson DL, Sims LB, Porter RN. Dynamics of the molecular and atomic mechanisms for the hydrogen-iodine exchange reaction The Journal of Chemical Physics. 56: 5998-6027. DOI: 10.1063/1.1677149 |
0.507 |
|
| 1970 |
Raff LM, Sims LB, Thompson DL, Porter RN. Dynamic effects in exchange reactions: Dependence of thermal rate constants upon vibrational excitation [3] The Journal of Chemical Physics. 53: 1607-1609. DOI: 10.1063/1.1674220 |
0.446 |
|
| 1970 |
Raff LM, Stivers L, Porter RN, Thompson DL, Sims LB. Semiempirical VB calculation of the (H2i2) interaction potential The Journal of Chemical Physics. 52: 3449-3457. DOI: 10.1063/1.1673509 |
0.473 |
|
| 1970 |
Porter RN, Thompson DL, Sims LB, Raff LM. Crucial role of dynamic effects in the hydrogen-iodine reactions Journal of the American Chemical Society. 92: 3208-3210. DOI: 10.1021/Ja00713A061 |
0.418 |
|
| 1970 |
Raff LM. Theoretical investigations of the reaction dynamics of polyatomic systems: Chemistry of the hot atom (T* + CH4) and (T* + CD4) systems The Journal of Chemical Physics. 2220-2244. |
0.415 |
|
| 1970 |
Lorenzen J, Raff LM. Theoretical investigations of gas-solid interaction phenomena. IV spatial and velocity distributions The Journal of Chemical Physics. 52: 6134-6140. |
0.276 |
|
| 1970 |
Lorenzen J, Raff LM. Theoretical investigations of gas-solid interaction phenomena. III. Adsorbed particles and lattice impurities The Journal of Chemical Physics. 52: 1133-1142. |
0.392 |
|
| 1970 |
Porter RN, Thompson DL, Sims LB, Raff LM. The crucial role of dynamic effects in the hydrogen-iodine reactions [20] Journal of the American Chemical Society. 92: 3208-3210. |
0.324 |
|
| 1969 |
Raff LM, Winter TG. Reply to “Origin of the Temperature Dependence of the Ultrasonic ‘Rotational Relaxation’ Time” The Journal of Chemical Physics. 50: 1041-1042. DOI: 10.1063/1.1671094 |
0.196 |
|
| 1969 |
Porter RN, Raff LM. Configuration Interaction in the Simple Valence‐Bond Wavefunction for the Potential‐Energy Surfaces of Sigma‐Bonded Four‐Center Exchange‐Reaction Complexes Journal of Chemical Physics. 50: 5216-5222. DOI: 10.1063/1.1671037 |
0.444 |
|
| 1969 |
Bruns R, Raff L, Devlin JP. A theoretical study of the bond-bond interaction force constant in XF2 molecules Theoretica Chimica Acta. 14: 232-241. DOI: 10.1007/Bf00527281 |
0.42 |
|
| 1969 |
Raff LM, Winter TG. Reply to "origin of the temperature dependence of the ultrasonic 'rotational relaxation' time", The Journal of Chemical Physics. 50: 961-977. |
0.224 |
|
| 1969 |
Raff LM, Porter RN. Configuration interaction in the simple nonionic valence-bond wavefunction for the H2i2 reaction complex The Journal of Chemical Physics. 51: 4701-4705. |
0.318 |
|
| 1969 |
Porter RN, Raff LM. Configuration interaction in the simple valence-bond wavefunction for the potential-energy surfaces of sigma-bonded four-center exchange-reaction complexes The Journal of Chemical Physics. 50: 5216-5222. |
0.402 |
|
| 1968 |
Loeenzenf J, Raff LM. Theoretical investigations of gas-solid interaction phenomena. II. Three-dimensional treatment The Journal of Chemical Physics. 49: 1165-1177. |
0.217 |
|
| 1968 |
Raff LM, Winter TG. Origin of the temperature dependence of the ultrasonic "rotational relaxation" time The Journal of Chemical Physics. 48: 3992-4000. |
0.224 |
|
| 1967 |
Berlin KD, Wilson LA, Raff LM. Kinetics of the decomposition of a phosphorylated triazoline. Evidence for a dipolar ion intermediate Tetrahedron. 23: 965-984. DOI: 10.1016/0040-4020(67)85045-2 |
0.39 |
|
| 1967 |
Pohl HA, Raff LM. Simplified SCF calculations for σ‐bonded systems. II. The interhalogens International Journal of Quantum Chemistry. 1: 577-589. DOI: 10.1002/Qua.560010505 |
0.439 |
|
| 1967 |
Raff LM. Theoretical investigations of translation-rotation energy transfer. II. Semiclassical treatment of (p-H2, He) and (o-D2, He) systems The Journal of Chemical Physics. 47: 4789-4794. |
0.363 |
|
| 1967 |
Raff LM. Theoretical investigations of translation-rotation energy transfer: (H 2, He) and (D2, He) systems The Journal of Chemical Physics. 46: 520-531. |
0.422 |
|
| 1966 |
Raff LM. Classical Monte Carlo analysis of four-body reactions: K+C 2H5I system The Journal of Chemical Physics. 44: 1202-1211. |
0.407 |
|
| 1966 |
Raff LM, Karplus M. Theoretical investigations of reactive collisions in molecular beams: K+CH3I and related systems The Journal of Chemical Physics. 44: 1212-1229. |
0.415 |
|
| 1964 |
Kaeplus M, Raff LM. Theoretical investigations of reactive collisions in molecular beams: K+CH3I The Journal of Chemical Physics. 41: 1267-1277. |
0.397 |
|
| 1963 |
Kuppermann A, Raff LM. Differences between Low‐Energy Electron‐Impact Spectra at 0° and at Large Scattering Angle Journal of Chemical Physics. 39: 1607-1608. DOI: 10.1063/1.1734490 |
0.611 |
|
| 1963 |
Kuppermann A, Raff LM. Electron-Impact Spectroscopy Discussions of the Faraday Society. 35: 30-42. DOI: 10.1039/Df9633500030 |
0.427 |
|
| 1963 |
Kuppermann A, Raff LM. Differences between low-energy electron-impact spectra at 0° and at large scattering angle [2] The Journal of Chemical Physics. 39: 1607-1608. |
0.55 |
|
| 1962 |
Kuppermann A, Raff LM. Determination of Electronic Energy Levels of Molecules by Low‐Energy Electron Impact Spectroscopy Journal of Chemical Physics. 37: 2497-2498. DOI: 10.1063/1.1733035 |
0.594 |
|
| 1962 |
Kuppermann A, Raff LM. Determination of electronic energy levels of molecules by low-energy electron impact spectroscopy [2] The Journal of Chemical Physics. 37: 2497-2498. |
0.564 |
|
| 1960 |
Raff LM, Iddings FA, Murphy GW. Multicompartment permselective membrane cells for the preparation of acids and bases Journal of Physical Chemistry. 64: 127-131. DOI: 10.1021/J100830A030 |
0.286 |
|
| Show low-probability matches. |