Rigoberto Hernandez, Ph.D. - Publications

Affiliations: 
Chemistry and Biochemistry Georgia Institute of Tecnology 
 Chemistry Johns Hopkins University, Baltimore, MD 
Area:
Theoretical and Computational Chemistry
Website:
http://rh.jhu.edu

105 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Tollefson EJ, Allen CR, Chong G, Zhang X, Rozanov ND, Bautista A, Cerda JJ, Pedersen JA, Murphy CJ, Carlson EE, Hernandez R. Preferential Binding of Cytochrome c to an Anionic Ligand-Coated Gold Nanoparticle: A Complementary Computational and Experimental Approach. Acs Nano. PMID 31082259 DOI: 10.1021/acsnano.9b01622  1
2019 Feldmaier M, Schraft P, Bardakcioglu R, Reiff J, Lober M, Tschöpe M, Junginger A, Main J, Bartsch T, Hernandez R. Invariant Manifolds and Rate Constants in Driven Chemical Reactions. The Journal of Physical Chemistry. B. PMID 30730733 DOI: 10.1021/acs.jpcb.8b10541  1
2018 Melby ES, Allen C, Foreman-Ortiz I, Caudill E, Kuech TR, Vartanian AM, Zhang X, Murphy CJ, Hernandez R, Pedersen JA. Peripheral Membrane Proteins Facilitate Nanoparticle Binding at Lipid Bilayer Interfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30102857 DOI: 10.1021/acs.langmuir.8b02060  1
2018 Schraft P, Junginger A, Feldmaier M, Bardakcioglu R, Main J, Wunner G, Hernandez R. Neural network approach to time-dependent dividing surfaces in classical reaction dynamics. Physical Review. E. 97: 042309. PMID 29758767 DOI: 10.1103/PhysRevE.97.042309  1
2018 Quirk S, Hopkins MM, Bureau H, Lusk RJ, Allen C, Hernandez R, Bain DL. Mutational Analysis of Neuropeptide Y Reveals Unusual Thermal Stability Linked to Higher-Order Self-Association. Acs Omega. 3: 2141-2154. PMID 29619413 DOI: 10.1021/acsomega.7b01949  1
2017 Craven GT, Junginger A, Hernandez R. Lagrangian descriptors of driven chemical reaction manifolds. Physical Review. E. 96: 022222. PMID 28950601 DOI: 10.1103/PhysRevE.96.022222  1
2017 Revuelta F, Craven GT, Bartsch T, Borondo F, Benito RM, Hernandez R. Transition state theory for activated systems with driven anharmonic barriers. The Journal of Chemical Physics. 147: 074104. PMID 28830175 DOI: 10.1063/1.4997571  1
2017 Junginger A, Duvenbeck L, Feldmaier M, Main J, Wunner G, Hernandez R. Chemical dynamics between wells across a time-dependent barrier: Self-similarity in the Lagrangian descriptor and reactive basins. The Journal of Chemical Physics. 147: 064101. PMID 28810775 DOI: 10.1063/1.4997379  1
2016 Ulusoy IS, Andrienko DA, Boyd ID, Hernandez R. Erratum: "Quantum and quasi-classical collisional dynamics of O2-Ar at high temperatures" [J. Chem. Phys. 144, 234311 (2016)]. The Journal of Chemical Physics. 145: 239902. PMID 27984861 DOI: 10.1063/1.4972054  1
2016 Revuelta F, Bartsch T, Garcia-Muller PL, Hernandez R, Benito RM, Borondo F. Transition state theory for solvated reactions beyond recrossing-free dividing surfaces. Physical Review. E. 93: 062304. PMID 27415277 DOI: 10.1103/PhysRevE.93.062304  1
2016 Cui Q, Hernandez R, Mason SE, Frauenheim T, Pedersen JA, Geiger FM. Sustainable Nanotechnology: Opportunities and Challenges for Theoretical/Computational Studies. The Journal of Physical Chemistry. B. PMID 27388532 DOI: 10.1021/acs.jpcb.6b03976  1
2016 Ulusoy IS, Andrienko DA, Boyd ID, Hernandez R. Quantum and quasi-classical collisional dynamics of O2-Ar at high temperatures. The Journal of Chemical Physics. 144: 234311. PMID 27334166 DOI: 10.1063/1.4954041  1
2016 Junginger A, Hernandez R. Lagrangian descriptors in dissipative systems. Physical Chemistry Chemical Physics : Pccp. PMID 27327139 DOI: 10.1039/c6cp02532c  1
2016 Junginger A, Craven GT, Bartsch T, Revuelta F, Borondo F, Benito RM, Hernandez R. Transition state geometry of driven chemical reactions on time-dependent double-well potentials. Physical Chemistry Chemical Physics : Pccp. PMID 27302860 DOI: 10.1039/c6cp02519f  1
2016 Bureau HR, Hershkovits E, Quirk S, Hernandez R. Determining the Energetics of Small β-Sheet Peptides Using Adaptive Steered Molecular Dynamics. Journal of Chemical Theory and Computation. PMID 26930270 DOI: 10.1021/acs.jctc.5b01110  1
2016 Craven GT, Hernandez R. Deconstructing field-induced ketene isomerization through Lagrangian descriptors. Physical Chemistry Chemical Physics : Pccp. PMID 26778728 DOI: 10.1039/c5cp06624g  1
2016 Junginger A, Garcia-Muller PL, Borondo F, Benito RM, Hernandez R. Solvated molecular dynamics of LiCN isomerization: All-atom argon solvent versus a generalized Langevin bath. The Journal of Chemical Physics. 144: 024104. PMID 26772551 DOI: 10.1063/1.4939480  1
2015 Murphy CJ, Vartanian AM, Geiger FM, Hamers RJ, Pedersen J, Cui Q, Haynes CL, Carlson EE, Hernandez R, Klaper RD, Orr G, Rosenzweig Z. Biological Responses to Engineered Nanomaterials: Needs for the Next Decade. Acs Central Science. 1: 117-23. PMID 27162961 DOI: 10.1021/acscentsci.5b00182  1
2015 Popov AV, Craven GT, Hernandez R. Nonequilibrium structure in sequential assembly. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 92: 052108. PMID 26651648 DOI: 10.1103/PhysRevE.92.052108  1
2015 Craven GT, Hernandez R. Lagrangian Descriptors of Thermalized Transition States on Time-Varying Energy Surfaces. Physical Review Letters. 115: 148301. PMID 26551825 DOI: 10.1103/PhysRevLett.115.148301  1
2015 Junginger A, Hernandez R. Uncovering the Geometry of Barrierless Reactions Using Lagrangian Descriptors. The Journal of Physical Chemistry. B. PMID 26524392 DOI: 10.1021/acs.jpcb.5b09003  1
2015 Bureau HR, Merz DR, Hershkovits E, Quirk S, Hernandez R. Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents. Plos One. 10: e0127034. PMID 25970521 DOI: 10.1371/journal.pone.0127034  1
2015 Craven GT, Popov AV, Hernandez R. Stochastic dynamics of penetrable rods in one dimension: Entangled dynamics and transport properties. The Journal of Chemical Physics. 142: 154906. PMID 25903909 DOI: 10.1063/1.4918370  1
2015 Craven GT, Bartsch T, Hernandez R. Chemical reactions induced by oscillating external fields in weak thermal environments. The Journal of Chemical Physics. 142: 074108. PMID 25702003 DOI: 10.1063/1.4907590  1
2014 Hagy MC, Hernandez R. Dynamical simulation of electrostatic striped colloidal particles. The Journal of Chemical Physics. 140: 034701. PMID 25669401 DOI: 10.1063/1.4859855  1
2014 Garcia-Muller PL, Hernandez R, Benito RM, Borondo F. The role of the CN vibration in the activated dynamics of LiNC<−>LiCN isomerization in an argon solvent at high temperatures. The Journal of Chemical Physics. 141: 074312. PMID 25149791 DOI: 10.1063/1.4892921  1
2014 Ozer G, Keyes T, Quirk S, Hernandez R. Multiple branched adaptive steered molecular dynamics. The Journal of Chemical Physics. 141: 064101. PMID 25134545 DOI: 10.1063/1.4891807  1
2014 Craven GT, Bartsch T, Hernandez R. Communication: Transition state trajectory stability determines barrier crossing rates in chemical reactions induced by time-dependent oscillating fields. The Journal of Chemical Physics. 141: 041106. PMID 25084872 DOI: 10.1063/1.4891471  1
2014 Craven GT, Popov AV, Hernandez R. Effective surface coverage of coarse-grained soft matter. The Journal of Physical Chemistry. B. 118: 14092-102. PMID 25059882 DOI: 10.1021/jp505207h  1
2014 Craven GT, Popov AV, Hernandez R. Structure of a tractable stochastic mimic of soft particles. Soft Matter. 10: 5350-61. PMID 24935651 DOI: 10.1039/c4sm00751d  1
2014 Craven GT, Bartsch T, Hernandez R. Persistence of transition-state structure in chemical reactions driven by fields oscillating in time. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 89: 040801. PMID 24827174 DOI: 10.1103/PhysRevE.89.040801  1
2014 Hernandez R, Watt S. A top-down approach for diversity and inclusion in chemistry departments Acs Symposium Series. 1169: 207-224. DOI: 10.1021/bk-2014-1169.ch019  1
2014 Ulusoy IS, Hernandez R. Revisiting roaming trajectories in ketene isomerization at higher dimensionality Theoretical Chemistry Accounts. 133: 1-9. DOI: 10.1007/s00214-014-1528-z  1
2014 Hernandez R, Popov AV. Molecular dynamics out of equilibrium: mechanics and measurables Wiley Interdisciplinary Reviews: Computational Molecular Science. 4: 541-561. DOI: 10.1002/wcms.1190  1
2013 Popov AV, Hernandez R. Temperature-driven irreversible generalized Langevin equation can capture the nonequilibrium dynamics of two dissipated coupled oscillators. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 88: 032145. PMID 24125251 DOI: 10.1103/PhysRevE.88.032145  1
2013 Craven GT, Popov AV, Hernandez R. Stochastic dynamics of penetrable rods in one dimension: occupied volume and spatial order. The Journal of Chemical Physics. 138: 244901. PMID 23822268 DOI: 10.1063/1.4810807  1
2013 Ulusoy IS, Stanton JF, Hernandez R. Effects of roaming trajectories on the transition state theory rates of a reduced-dimensional model of ketene isomerization. The Journal of Physical Chemistry. A. 117: 7553-60. PMID 23773152 DOI: 10.1021/jp402322h  1
2013 Hagy MC, Hernandez R. Dynamical simulation of dipolar Janus colloids: dynamical properties. The Journal of Chemical Physics. 138: 184903. PMID 23676070 DOI: 10.1063/1.4803864  1
2012 Ozer G, Quirk S, Hernandez R. Thermodynamics of Decaalanine Stretching in Water Obtained by Adaptive Steered Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 8: 4837-4844. PMID 26605636 DOI: 10.1021/ct300709u  1
2012 García Müller PL, Hernandez R, Benito RM, Borondo F. Detailed study of the direct numerical observation of the Kramers turnover in the LiNC⇌LiCN isomerization rate. The Journal of Chemical Physics. 137: 204301. PMID 23205997 DOI: 10.1063/1.4766257  1
2012 Hagy MC, Hernandez R. Dynamical simulation of dipolar Janus colloids: equilibrium structure and thermodynamics. The Journal of Chemical Physics. 137: 044505. PMID 22852629 DOI: 10.1063/1.4737432  1
2012 Ozer G, Quirk S, Hernandez R. Adaptive steered molecular dynamics: validation of the selection criterion and benchmarking energetics in vacuum. The Journal of Chemical Physics. 136: 215104. PMID 22697572 DOI: 10.1063/1.4725183  1
2012 Tucker AK, Hernandez R. Diffusion of a spherical probe through static nematogens: effect of increasing geometric anisotropy and long-range structure. The Journal of Physical Chemistry. B. 116: 1328-34. PMID 22148676 DOI: 10.1021/jp207346j  1
2011 Popov AV, Gould EA, Salvitti MA, Hernandez R, Solntsev KM. Diffusional effects on the reversible excited-state proton transfer. From experiments to Brownian dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 13: 14914-27. PMID 21761033 DOI: 10.1039/c1cp20952c  1
2011 Tucker AK, Hernandez R. Absence of enhanced diffusion in the dynamics of a thick needle through three-dimensional fixed spherical scatterers. The Journal of Physical Chemistry. B. 115: 4412-8. PMID 21452799 DOI: 10.1021/jp201867f  1
2011 Popov AV, Viehman DC, Hernandez R. Nonequilibrium heat flows through a nanorod sliding across a surface. The Journal of Chemical Physics. 134: 104703. PMID 21405180 DOI: 10.1063/1.3561296  1
2010 Ozer G, Valeev EF, Quirk S, Hernandez R. Adaptive Steered Molecular Dynamics of the Long-Distance Unfolding of Neuropeptide Y. Journal of Chemical Theory and Computation. 6: 3026-38. PMID 26616767 DOI: 10.1021/ct100320g  1
2010 Tucker AK, Hernandez R. Observation of a trapping transition in the diffusion of a thick needle through fixed point scatterers. The Journal of Physical Chemistry. A. 114: 9628-34. PMID 20402488 DOI: 10.1021/jp100111y  1
2010 Hernandez R, Uzer T, Bartsch T. Transition state theory in liquids beyond planar dividing surfaces Chemical Physics. 370: 270-276. DOI: 10.1016/j.chemphys.2010.01.016  1
2010 Saalfrank P, Klamroth T, Vazhappilly T, Hernandez R. Theory of Femtochemistry at Metal Surfaces: Associative Molecular Photodesorption as a Case Study Dynamics At Solid State Surfaces and Interfaces. 1: 383-407. DOI: 10.1002/9783527633418.ch17  1
2009 Gohres JL, Popov AV, Hernandez R, Liotta CL, Eckert CA. Molecular Dynamics Simulations of Solvation and Solvent Reorganization Dynamics in CO2-Expanded Methanol and Acetone. Journal of Chemical Theory and Computation. 5: 267-275. PMID 26610103 DOI: 10.1021/ct800353s  1
2009 Popov AV, Hernandez R. Diffusion in a nonequilibrium binary mixture of hard spheres swelling at different rates. The Journal of Chemical Physics. 131: 024503. PMID 19604000 DOI: 10.1063/1.3168405  1
2009 Quirk S, Zhong S, Hernandez R. De novo identification of binding sequences for antibody replacement molecules. Proteins. 76: 693-705. PMID 19274738 DOI: 10.1002/prot.22382  1
2009 Vazhappilly T, Klamroth T, Saalfrank P, Hernandez R. Femtosecond-laser desorption of h 2 (d 2) from ru(0001): quantum and classical approaches Journal of Physical Chemistry C. 113: 7790-7801. DOI: 10.1021/jp810709k  1
2009 Gohres JL, Popov AV, Hernandez R, Liotta CL, Eckert CA. Molecular dynamics simulations of solvation and solvent reorganization dynamics in CO 2-expanded methanol and acetone Journal of Chemical Theory and Computation. 5: 267-275. DOI: 10.1021/ct800353s  1
2009 Gohres JL, Hernandez R, Liotta CL, Eckert CA. Viewing the cybotactic structure of gas-expanded liquids Acs Symposium Series. 1006: 81-94. DOI: 10.1021/bk-2009-1006.ch004  1
2008 García-Müller PL, Borondo F, Hernandez R, Benito RM. Solvent-induced acceleration of the rate of activation of a molecular reaction. Physical Review Letters. 101: 178302. PMID 18999793 DOI: 10.1103/PhysRevLett.101.178302  1
2008 Gohres JL, Shukla CL, Popov AV, Hernandez R, Liotta CL, Eckert CA. Effects of solute structure on local solvation and solvent interactions: results from UV/vis spectroscopy and molecular dynamics simulations. The Journal of Physical Chemistry. B. 112: 14993-8. PMID 18975884 DOI: 10.1021/jp806135s  1
2008 Gohres JL, Kitchens CL, Hallett JP, Popov AV, Hernandez R, Liotta CL, Eckert CA. A spectroscopic and computational exploration of the cybotactic region of gas-expanded liquids: methanol and acetone Journal of Physical Chemistry B. 112: 4666-4673. PMID 18358022 DOI: 10.1021/jp077552p  1
2008 Bartsch T, Uzer T, Moix JM, Hernandez R. Transition-state theory rate calculations with a recrossing-free moving dividing surface. The Journal of Physical Chemistry. B. 112: 206-12. PMID 17935321 DOI: 10.1021/jp0755600  1
2008 Moix JM, Hernandez R, Pollak E. Momentum and velocity autocorrelation functions of a diatomic molecule are not necessarily proportional to each other. The Journal of Physical Chemistry. B. 112: 213-8. PMID 17824637 DOI: 10.1021/jp0730951  1
2008 Gohres JL, Shukla CL, Popov AV, Hernandez R, Liotta CL, Eckert CA. Effects of solute structure on local solvation and solvent interactions: Results from UV/Vis spectroscopy and molecular dynamics simulations Journal of Physical Chemistry B. 112: 14993-14998. DOI: 10.1021/jp806135s  1
2008 Qin Y, Popov AV, Hernandez R. Chapter 10 Stochastic Models for Polymerization Reactions Under Nonequilibrium Conditions Annual Reports in Computational Chemistry. 4: 173-199. DOI: 10.1016/S1574-1400(08)00010-8  1
2008 Bartsch T, Moix JM, Hernandez R, Kawai S, Uzer T. Time-dependent transition state theory Advances in Chemical Physics. 140: 191-238. DOI: 10.1002/9780470371572.ch4  1
2007 Popov AV, Hernandez R. Ontology of temperature in nonequilibrium systems. The Journal of Chemical Physics. 126: 244506. PMID 17614563 DOI: 10.1063/1.2743032  1
2007 Moix JM, Hernandez R. Chapter 8 The Role of Long-Time Correlation in Dissipative Adsorbate Dynamics on Metal Surfaces Annual Reports in Computational Chemistry. 3: 137-151. DOI: 10.1016/S1574-1400(07)03008-3  1
2006 Shukla CL, Hallett JP, Popov AV, Hernandez R, Liotta CL, Eckert CA. Molecular dynamics simulation of the cybotactic region in gas-expanded methanol-carbon dioxide and acetone-carbon dioxide mixtures. The Journal of Physical Chemistry. B. 110: 24101-11. PMID 17125382 DOI: 10.1021/jp0648947  1
2006 Zhong S, Moix JM, Quirk S, Hernandez R. Dihedral-angle information entropy as a gauge of secondary structure propensity. Biophysical Journal. 91: 4014-23. PMID 16980371 DOI: 10.1529/biophysj.106.089243  1
2006 Hallett JP, Kitchens CL, Hernandez R, Liotta CL, Eckert CA. Probing the cybotactic region in gas-expanded liquids (GXLs). Accounts of Chemical Research. 39: 531-8. PMID 16906749 DOI: 10.1021/ar0501424  1
2006 Bartsch T, Uzer T, Moix JM, Hernandez R. Identifying reactive trajectories using a moving transition state. The Journal of Chemical Physics. 124: 244310. PMID 16821980 DOI: 10.1063/1.2206587  1
2006 Popov AV, Melvin J, Hernandez R. Dynamics of swelling/contracting hard spheres surmised by an irreversible Langevin equation. The Journal of Physical Chemistry. A. 110: 1635-44. PMID 16435826 DOI: 10.1021/jp054241a  1
2006 Shukla CL, Hallett JP, Popov AV, Hernandez R, Liotta CL, Eckert CA. Molecular dynamics simulation of the cybotactic region in gas-expanded methanol-carbon dioxide and acetone-carbon dioxide mixtures Journal of Physical Chemistry B. 110: 24101-24111. DOI: 10.1021/jp0648947  1
2006 Hallett JP, Kitchens CL, Hernandez R, Liotta CL, Eckert CA. Probing the cybotactic region in gas-expanded liquids (GXLs) Accounts of Chemical Research. 39: 531-538. DOI: 10.1021/ar0501424  1
2005 Bartsch T, Uzer T, Hernandez R. Stochastic transition states: reaction geometry amidst noise. The Journal of Chemical Physics. 123: 204102. PMID 16351235 DOI: 10.1063/1.2109827  1
2005 Vogt M, Hernandez R. An idealized model for nonequilibrium dynamics in molecular systems. The Journal of Chemical Physics. 123: 144109. PMID 16238376 DOI: 10.1063/1.2052594  1
2005 Bartsch T, Hernandez R, Uzer T. Transition state in a noisy environment. Physical Review Letters. 95: 058301. PMID 16090923 DOI: 10.1103/PhysRevLett.95.058301  1
2005 Moix JM, Hernandez R. Dissipating the Langevin equation in the presence of an external stochastic potential. The Journal of Chemical Physics. 122: 114111. PMID 15836205 DOI: 10.1063/1.1870875  1
2005 Hershkovits E, Hernandez R. Chemical reaction dynamics within anisotropic solvents in time-dependent fields. The Journal of Chemical Physics. 122: 14509. PMID 15638676 DOI: 10.1063/1.1829252  1
2005 Popov AV, Eckert CA, Liotta CL, Shukla CL, Hallett JP, Hernandez R. The cybotactic structure in gas-expanded liquids: Numerical simulations 2005 Aiche Spring National Meeting, Conference Proceedings. 3127.  1
2005 Popov AV, Eckert CA, Liotta CL, Shukla CL, Hallett JP, Hernandez R. A phenomenological molecular dynamics model for gas-expanded liquids 2005 Aiche Spring National Meeting, Conference Proceedings. 3153.  1
2004 Locker CR, Hernandez R. Folding behavior of model proteins with weak energetic frustration. The Journal of Chemical Physics. 120: 11292-303. PMID 15268157 DOI: 10.1063/1.1751394  1
2004 Liu CS, Hernandez R, Schuster GB. Mechanism for radical cation transport in duplex DNA oligonucleotides. Journal of the American Chemical Society. 126: 2877-84. PMID 14995205 DOI: 10.1021/ja0378254  1
2004 Moix JM, Shepherd TD, Hernandez R. A phenomenological model for surface diffusion: Diffusive dynamics across incoherent stochastic aperiodic potentials Journal of Physical Chemistry B. 108: 19476-19482. DOI: 10.1021/jp046629w  1
2003 Valeev EF, Allen WD, Hernandez R, Sherrill CD, Schaefer HF. On the accuracy limits of orbital expansion methods: Explicit effects of k-functions on atomic and molecular energies Journal of Chemical Physics. 118: 8594-8610. DOI: 10.1063/1.1566744  1
2002 Shepherd TD, Hernandez R. An optimized mean first passage time approach for obtaining rates in activated processes Journal of Chemical Physics. 117: 9227-9233. DOI: 10.1063/1.1516590  1
2002 Vogt M, Hernandez R. A three-dimensional polymer growth model Journal of Chemical Physics. 116: 10485-10491. DOI: 10.1063/1.1477455  1
2002 Shepherd TD, Hernandez R. Activated dynamics across aperiodic stochastic potentials Journal of Physical Chemistry B. 106: 8176-8181. DOI: 10.1021/jp020620h  1
2001 Locker CR, Hernandez R. A minimalist model protein with multiple folding funnels Proceedings of the National Academy of Sciences of the United States of America. 98: 9074-9079. PMID 11470921 DOI: 10.1073/pnas.161438898  1
2001 Shepherd TD, Hernandez R. Chemical reaction dynamics with stochastic potentials below the high-friction limit Journal of Chemical Physics. 115: 2430-2438. DOI: 10.1063/1.1386422  1
2001 Vogt M, Hernandez R. A two-dimensional polymer growth model Journal of Chemical Physics. 115: 1575-1585. DOI: 10.1063/1.1380709  1
2001 Hershkovitz E, Hernandez R. Fast numerical integrator for stochastic differential equations with nonstationary multiplicative noise Journal of Physical Chemistry A. 105: 2687-2693.  1
2000 Somer FL, Hernandez R. Stochastic dynamics in irreversible nonequilibrium environments. 4. Self-consistent coupling in heterogeneous environments Journal of Physical Chemistry B. 104: 3456-3462.  1
1999 Somer FL, Hernandez R. Stochastic dynamics in irreversible nonequilibrium environments. 3. Temperature-ramped chemical kinetics Journal of Physical Chemistry A. 103: 11004-11010.  1
1999 Hernandez R. The projection of a mechanical system onto the irreversible generalized Langevin equation Journal of Chemical Physics. 111: 7701-7704.  1
1999 Hernandez R, Somer FL. Stochastic dynamics in irreversible nonequilibrium environments. 2. A model for thermosetting polymerization Journal of Physical Chemistry B. 103: 1070-1077.  1
1999 Hernandez R, Somer FL. Stochastic dynamics in irreversible nonequilibrium environments. 1. The fluctuation-dissipation relation Journal of Physical Chemistry B. 103: 1064-1069.  1
1998 Hernandez R, Voth GA. Quantum time correlation functions and classical coherence Chemical Physics. 233: 243-255.  1
1995 Hernandez R, Cao J, Voth GA. On the Feynman path centroid density as a phase space distribution in quantum statistical mechanics The Journal of Chemical Physics. 103: 5018-5026.  1
1994 Hernandez R. A combined use of perturbation theory and diagonalization: Application to bound energy levels and semiclassical rate theory The Journal of Chemical Physics. 101: 9534-9547.  1
1993 Hernandez R, Miller WH. Semiclassical transition state theory. A new perspective Chemical Physics Letters. 214: 129-136. DOI: 10.1016/0009-2614(93)90071-8  1
1993 Hernandez R, Miller WH, Bradley Moore C, Polik WF. A random matrix/transition state theory for the probability distribution of state-specific unimolecular decay rates: Generalization to include total angular momentum conservation and other dynamical symmetries The Journal of Chemical Physics. 99: 950-962.  1
1992 Cohen MJ, Handy NC, Hernandez R, Miller WH. Cumulative reaction probabilities for H+H2→H2+H from a knowledge of the anharmonic force field Chemical Physics Letters. 192: 407-416. DOI: 10.1016/0009-2614(92)85491-R  1
1990 Miller WH, Hernandez R, Handy NC, Jayatilaka D, Willetts A. Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities Chemical Physics Letters. 172: 62-68. DOI: 10.1016/0009-2614(90)87217-F  1
1990 Miller WH, Hernandez R, Moore CB, Polik WF. A transition state theory-based statistical distribution of unimolecular decay rates with application to unimolecular decomposition of formaldehyde The Journal of Chemical Physics. 93: 5657-5666.  1
1989 Coy SL, Hernandez R, Lehmann KK. Limits on the transition to Gaussian orthogonal ensemble behavior: Saturated radiationless transitions between strongly coupled potential surfaces Physical Review A. 40: 5935-5949. DOI: 10.1103/PhysRevA.40.5935  1
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