עקוב אחר
Rigoberto Hernandez
Rigoberto Hernandez
Professor of Chemistry, Johns Hopkins University
כתובת אימייל מאומתת בדומיין jhu.edu - דף הבית
כותרת
צוטט על ידי
צוטט על ידי
שנה
Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities
WH Miller, R Hernandez, NC Handy, D Jayatilaka, A Willetts
Chemical physics letters 172 (1), 62-68, 1990
2771990
Semiclassical transition state theory. A new perspective
R Hernandez, WH Miller
Chemical physics letters 214 (2), 129-136, 1993
2341993
Biological responses to engineered nanomaterials: needs for the next decade
CJ Murphy, AM Vartanian, FM Geiger, RJ Hamers, J Pedersen, Q Cui, ...
ACS central science 1 (3), 117-123, 2015
1482015
A transition state theory‐based statistical distribution of unimolecular decay rates with application to unimolecular decomposition of formaldehyde
WH Miller, R Hernandez, CB Moore, WF Polik
The Journal of chemical physics 93 (8), 5657-5666, 1990
1441990
Mechanism for radical cation transport in duplex DNA oligonucleotides
CS Liu, R Hernandez, GB Schuster
Journal of the American Chemical Society 126 (9), 2877-2884, 2004
1232004
Adaptive steered molecular dynamics of the long-distance unfolding of neuropeptide Y
G Ozer, EF Valeev, S Quirk, R Hernandez
Journal of Chemical Theory and Computation 6 (10), 3026-3038, 2010
1062010
Transition state in a noisy environment
T Bartsch, R Hernandez, T Uzer
Physical review letters 95 (5), 058301, 2005
1062005
Solution NMR analysis of ligand environment in quaternary ammonium-terminated self-assembled monolayers on gold nanoparticles: the effect of surface curvature and ligand structure
M Wu, AM Vartanian, G Chong, AK Pandiakumar, RJ Hamers, ...
Journal of the American Chemical Society 141 (10), 4316-4327, 2019
882019
Lagrangian descriptors of thermalized transition states on time-varying energy surfaces
GT Craven, R Hernandez
Physical review letters 115 (14), 148301, 2015
862015
Transition state theory in liquids beyond planar dividing surfaces
R Hernandez, T Uzer, T Bartsch
Chemical Physics 370 (1-3), 270-276, 2010
862010
Quantum time correlation functions and classical coherence
R Hernandez, GA Voth
Chemical physics 233 (2-3), 243-255, 1998
861998
Adaptive steered molecular dynamics: Validation of the selection criterion and benchmarking energetics in vacuum
G Ozer, S Quirk, R Hernandez
The Journal of Chemical Physics 136 (21), 2012
812012
On the accuracy limits of orbital expansion methods: Explicit effects of k-functions on atomic and molecular energies
EF Valeev, WD Allen, R Hernandez, CD Sherrill, HF Schaefer III
The Journal of chemical physics 118 (19), 8594-8610, 2003
802003
Stochastic transition states: Reaction geometry amidst noise
T Bartsch, T Uzer, R Hernandez
The Journal of chemical physics 123 (20), 2005
782005
Cumulative reaction probabilities for H+ H2→ H2+ H from a knowledge of the anharmonic force field
MJ Cohen, NC Handy, R Hernandez, WH Miller
Chemical physics letters 192 (4), 407-416, 1992
741992
A random matrix/transition state theory for the probability distribution of state‐specific unimolecular decay rates: Generalization to include total angular momentum …
R Hernandez, WH Miller, CB Moore, WF Polik
The Journal of chemical physics 99 (2), 950-962, 1993
721993
A combined use of perturbation theory and diagonalization: Application to bound energy levels and semiclassical rate theory
R Hernandez
The Journal of chemical physics 101 (11), 9534-9547, 1994
711994
Probing the cybotactic region in gas-expanded liquids (GXLs)
JP Hallett, CL Kitchens, R Hernandez, CL Liotta, CA Eckert
Accounts of chemical research 39 (8), 531-538, 2006
672006
Sustainable nanotechnology: opportunities and challenges for theoretical/computational studies
Q Cui, R Hernandez, SE Mason, T Frauenheim, JA Pedersen, F Geiger
The Journal of Physical Chemistry B 120 (30), 7297-7306, 2016
642016
Thermodynamics of decaalanine stretching in water obtained by adaptive steered molecular dynamics simulations
G Ozer, S Quirk, R Hernandez
Journal of Chemical Theory and Computation 8 (11), 4837-4844, 2012
632012
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מאמרים 1–20