182. M. Sharma Priyadarshini, N. Thota and R. Hernandez, “ReLMM: Reinforcement learning optimizes feature selection in modeling materials,” J. Chem. Inf. Model. XX, XXXX (202X), in press. (10.1021/acs.jcim.4c01934)

181. Y. Zhao, X. Wei and R. Hernandez, “Neuromorphic Computing Primitives Using Polymer-networked nanoparticles,” J. Phys. Chem. XX, XXXX (2024). (10.1021/acs.jpcc.4c06055)

180. X. Wei and R. Hernandez, “Molecular electronic junctions achieved high thermal switch ratios in atomistic simulations,” ACS Appl. Mater. & Interfaces 16, 48103 (2024), (10.1021/acsami.4c09904)

179. C. Deng, Y. Wang, C. Castillo, Y. Zhao, W. Xu, J. Lian, K. Rodriguez-Otero, H. J. Brown, K. Cota-Ruiz, W. H. Elmer, C. O. Dimkpa, J. P. Giraldo, Y. Wang, R. Hernandez, and J C. White, “Nanoscale Iron (Fe3O4) Surface Charge Controls Fusarium Suppression and Nutrient Accumulation in Tomato Solanum lycopersicum L.,’’ ACS Sus. Chem. Eng., 12, 13285. (10.1021/acssuschemeng.4c04800)

178. X. Wei, E. Harazinska, Y. Zhao and R. Hernandez, “Networked Nanoparticle Arrays for Autonomous Computing: (Invited Paper),” 2024 IEEE 24th International Conference on Nanotechnology (NANO), Gijón, Spain, 2024, pp. 409-413. (10.1109/NANO61778.2024.10628712)

177. X. Wei, C. Chen, A. Popov, M. Bathe and R. Hernandez, “Binding Site Programmable Self-Assembly of {3D} Hierarchical DNA Origami Nanostructures,” J. Phys. Chem. A 128, 4999 (2024). (10.1021/acs.jpca.4c02603)

176. Y. Wang and R. Hernandez, “Construction of Multi-Scale Dissipative Particle Dynamics (DPD) Models from other Coarse-Grained Models,” ACS Omega 9, 17667 (2024). (10.1021/acsomega.4c01868)

175. R. Senanayake, C. Daly and R. Hernandez, “Optimized Bags of Artificial Neural Networks Can Predict Viability of Organisms Exposed to Nanoparticles,” J. Phys. Chem. A. 128, 2857 (2024). (10.1021/acs.jpca.3c07462)

174. Y, Zhuang, S. Quirk, E. R. Stover, H. R. Bureau, C. R. Allen and R. Hernandez, “Tertiary Plasticity Drives the Efficiency of Enterocin 7B Interactions with Lipid Membranes,” J. Phys. Chem. B. 128, 2100 (2024). (10.1021/acs.jpcb.3c08199)

173. M. Palma Banos, A. V. Popov and R. Hernandez, “Representability and dynamical consistency in coarse-grained models,” J. Phys. Chem. B, 128, 1506, (2024). (10.1021/acs.jpcb.3c08054)

172. N. K. Thota, M. Sharma Priyadarshini and R. Hernandez, “NestedAE: Interpretable Nested Autoencoders for Multi-Scale Material Modelling,”Mater. Horiz., 11, 700, (2024). (10.1039/D3MH01484C)

171. C. A. Reardon-Lochbaum, R. D. Senanayake, R. Amaro Marquez, K. Trinh, K. Nguyen L. Hoang, T. Rangel Guillen, C. J. Murphy, R. J. Hamers, J. A. Pedersen and R. Hernandez, “Influence of sensor composition on nanoparticle and protein interaction with supported lipid bilayers,” Environ. Sci.: Nano., 11, 561 (2024). (10.1039/d3en00406f)

170. X. Wei and R. Hernandez, “Heat Transfer Enhancement in Tree-Structured Polymer Linked Gold Nanoparticle Network,” J. Phys. Chem. Lett. 14, 9834 (2023). (10.1021/acs.jpclett.3c02367)

169. C. Deng, C. R. Protter, Y. Wang, J. Borgatta, J. Zhou, P. Wang, V. Goyal, H. J. Brown, K. Rodriguez-Otero, C. O. Dimkpa, R. Hernandez, R. J. Hamers, J. C. White, and W. H. Elmer, “Nanoscale CuO Charge and Morphology Control Fusarium Suppression and Nutrient Bio- fortification in Field-grown Tomato and Watermelon,” Sci. Total Environ. 905, 167799 (2023). (10.1016/j.scitotenv.2023.167799)

167. X. Wei, E. Harazinska, and R. Hernandez, “Control of Structure and Dynamics in Polymer-Networked Engineered Nanoparticle Arrays by Electric Fields,” Phys. Rev. Research 5, L022057 (2023). (10.1103/PhysRevResearch.5.L022057)

166. A. Popov and R. Hernandez, “Bottom-Up Construction of the Interaction between Janus Particles,” J. Phys. Chem. B, 127, 1664 (2023). (10.1021/acs.jpcb.2c07858)

164. J. J. Gray, P. Clancy, R. Hernandez, B. S. Akpa J. N. Renner A. S. Robinson and V. L. Young, “Effective Practices in Equity and Inclusion for ChE Academic Departments,” Chem. Eng. Prog., February, 34 (2023). (URL)

163. N. Thota, S. Quirk, Y. Zhuang, E. R. Stover, R. L. Lieberman, and R. Hernandez, “Correlation Between Chemical Denaturation and the Unfolding Energetics of Acanthamoeba Actophorin,” Biophys J. 122, 2921 (2023). (10.1016/j.bpj.2022.11.2941)

162. R. Senanayake, X. Yao, C. Froehlich, M. Cahill, T. Sheldon, M. McIntire, C. Haynes and R. Hernandez, “Machine Learning-Assisted Carbon Dot Synthesis: Prediction of Emission Color and Wavelength,” J. Chem. Inf. Model 62, 5918 (2022). (10.1021/acs.jcim.2c01007)

161. X. Wei, E. Harazinska, Y. Zhao, Y. Zhuang and R. Hernandez, “Thermal Transport Through Polymer Linked Gold Nanoparticles.” J. Phys. Chem. C. 126, 18511 (2022). (10.1021/acs.jpcc.2c05816)

160. M. Maihöfer, J. Reiff, J. Main and R. Hernandez, “Transition state theory characterizes thin film macrospin dynamics driven by an oscillatory magnetic field: Inertial effects,” Commun. Nonlinear Sci. Numer. Simulat. 115, 106764 (2022). (10.1016/j.cnsns.2022.106764)

159. C. Chen, X. Wei, M. Parsons, J. Guo, J. Banal, Y. Zhao, M. Scott, G. Schlau-Cohen, R. Hernandez and M. Bathe, “Nanoscale 3D Spatial Addressing and Valence Control of Quantum Dots using Wireframe DNA Origami,” Nat. Commun. 13, 4935 (2022). (10.1038/s41467-022-32662-w)

158. Y. Zhuang, N. Thota, S. Quirk and R. Hernandez,”Implementation of telescoping boxes in adaptive steered molecular dynamics (ASMD),” J. Chem. Theory. Comput 18, 4659 (2022). (10.1021/acs.jctc.2c00498)  
Also available at ChemRXiv 10.26434/chemrxiv-2022-513pb (2022).

157. X. Yao, Y. Wang, F. Li, D. Fangjia, J. Dalluge, G. Orr, R. Hernandez, Q. Cui, and C. Haynes, “Unconventional aliphatic fluorophores discovered as the luminescence origin in citric acid- urea carbon dots,” Nanoscale 14, 9516 (2022). (10.1039/D2NR02361J)

156. C. Allen, H. R. Bureau, T. D. Mcgee, S. Quirk and R. Hernandez, “Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields,” ChemPhysChem 23, e202200175 (2022). (10.1002/cphc.202200175)

155. X. Wei, C. Chen, Y. Zhao, E. Harazinska, M. Bathe and R. Hernandez, “Molecular Structure of Single-Stranded DNA on the ZnS Surface of Quantum Dots,” ACS Nano 16, 6666 (2022). (10.1021/acsnano.2c01178)

154. X. Wei, A. Popov and R. Hernandez, “Electric Potential of Citrate Capped Gold Nanoparticles is Affected by Poly(Allylamine Hydrochloride) and Salt Concentration,” ACS Appl. Mater. Interfaces 14, 12538 (2022). (10.1021/acsami.1c24526)

153. M. M. Schleeh, J. Reiff, P. L. García-Müller, R. M. Benito, F. Borondo, J. Main and R. Hernandez, “Mean first-passage times for solvated LiCN isomerization at intermediate to high temperatures,” J. Chem. Phys., 156, 034103 (2022). (10.1063/5.0065090)

152. J. Mögerle, R. Schuldt, J. Reiff, J. Main and Rigoberto Hernandez, “Transition state dynamics of a driven magnetic free layer,” Commun. Nonlinear Sci. Numer. Simulat., 105, 106054 (2022). (10.1016/j.cnsns.2021.106054)

151. J. Reiff, J. Zatsch, J. Main and R. Hernandez, “On the stability of satellites at unstable libration points of sun-planet-moon systems,” Commun. Nonlinear Sci. Numer. Simulat., 104, 106053 (2022). (10.1016/j.cnsns.2021.106053)

149. X. Wei, Y. Zhao, Y. Zhuang and R. Hernandez, “Building Blocks for Autonomous Computing Materials: Dimers, Trimers and Tetramers,” J. Chem. Phys., 155, 154704 (2021). (10.1063/5.0064988)

148. A. E. Clark, H. Adams, R. Hernandez, A. I. Krylov, A. M. N. Niklasson, S. Sarupria, Y. Wang, S. M. Wild and Q. Y. Yang, “The Middle Science: Traversing Scale In Complex Many-body Systems,” ACS Central Science 7, 1271 (2021). (10.1021/acscentsci.1c00685)

147. R. Hernandez, “A Cuban campesino in chemistry’s academic court,” (Viewpoint, Editor’s choice)
J. Phys. Chem. A 125, 6505, 10.1021/acs.jpca.1c06072 (2021). (10.1021/acs.jpca.1c06072)
J. Phys. Chem. B 125, 8261, 10.1021/acs.jpcb.1c06073 (2021). (10.1021/acs.jpcb.1c06073)
J. Phys. Chem. C 125, 16371, 10.1021/acs.jpcc.1c06074 (2021). (10.1021/acs.jpcc.1c06074)

146. J. Reiff, R. Bardakcioglu, M. Feldmaier, J. Main and R. Hernandez, “Controlling reaction dynamics in chemical model systems through external driving,” Physica D 427, 133013 (2021). (10.1016/j.physd.2021.133013)

145. X. Wei, Y. Zhao, Y. Zhuang and R. Hernandez, “Engineered nanoparticle network models for autonomous computing,” J. Chem. Phys. 154, 214702 (2021). (10.1063/5.0048898)

143. Y. Zhuang, H. R. Bureau, S. Quirk, and R. Hernandez, “Adaptive steered molecular dynamics of biomolecules,” Mol. Sim. 47, 408 (2021). (doi:10.1080/08927022.2020.1807542)

142. M. Bathe, R. Hernandez, T. Komiyama, R. Machiraju and S. Neogi, “Autonomous Computing Materials,” ACS Nano 15, 3586 (2021). (10.1021/acsnano.0c09556)

141. J. Reiff, M. Feldmaier, J. Main and R. Hernandez, “Dynamics and rate constants of a time-dependent two-saddle system,” Phys. Rev. E 103, 022121 (2021). (10.1103/PhysRevE.103.022121)

140. R. Bardakcioglu, J. Reiff, M. Feldmaier, J. Main and R. Hernandez, “Thermal decay rates of an activated complex in a driven model chemical reaction,” Phys. Rev. E 102. 062204 (2020). (10.1103/PhysRevE.102.062204)

139. M. Kuchelmeister, J. Reiff, J. Main and R. Hernandez, “Dynamics and bifurcations on the normally hyperbolic invariant manifold of a periodically driven system with rank-1 saddle,” Regul. Chaotic Dyn. 29,496 (2020), (doi:10.1134/S1560354720050068 or at the RCD Website)

138. M. Feldmaier, J. Reiff, R. Benito, F. Borondo, J. Main and R. Hernandez, “Influence of external driving on decays in the geometry of the LiCN isomerization,” J. Chem. Phys. 153, 084115 (2020). (doi:10.1063/5.0015509)

137. A. Rahnamoun, A. Deline, J. Zienkiewicz, R. Bei, Z. Zheng, Z. Rosenzweig, H. Fairbrother and R. Hernandez, “Surface curvature and aminated side-chain partitioning affects structure of poly(oxonorbor- nenes) attached to planar surfaces and nanoparticles of gold,” Langmuir 36, 10412 (2020), (doi:10.1021/acs.langmuir.0c01567)

136. C. A. Daly Jr. and R. Hernandez, “Optimizing bags of artificial neural networks for the prediction of viability from sparse data,” J. Chem. Phys. 153, 054112 (2020). [Special virtual issue on “Machine Learning Meets Chemical Physics”] (doi:10.1063/5.0017229)

135. D. Stallings, S. Iyer, and R. Hernandez, “Removing barriers,” in ACS Symposium Series 1354, edited by S. Azad, (American Chemical Society, Washington DC, 2020), (doi:10.1021/bk-2020-1354.ch006)

134. C. A. Daly Jr. and R. Hernandez, “Learning from the machine: Uncovering sustainable nanoparticle design rules,” J. Phys. Chem. C, 124 13409–13420 (2020). [Special issue on “Machine Learning in Physical Chemistry] (doi:10.1021/acs.jpcc.0c01195)

133. C. A. Daly Jr., C. Allen, N. Rozanov, G. Chong, E. S. Melby, T. R. Kuech, S. E. Lohse, C. J. Murphy, J. A. Pedersen, and R. Hernandez, “Surface coating structure and its interaction with cytochrome c in EG6 coated nanoparticles varies with surface curvature,” Langmuir, 36 5030–5039 (2020). (doi:10.1021/acs.langmuir.0c00681)

132. Y. Nagahata, F. Borondo, R. M. Benito and R. Hernandez, “Identifying reaction pathways via asymptotic trajectories,” Phys. Chem. Chem. Phys. 22 10087-10105 (2020). (doi:10.1039/C9CP06610A)

131. A. Rahnamoun, K. Kim, J. A. Pedersen and R. Hernandez, “Ionic environment affects bacterial lipopolysaccharide packing and function,” Langmuir 36, 3149-3158 (2020), (doi:10.1021/acs.langmuir.9b03162)

130. M. Tschoepe, M. Feldmaier, J. Main, and R. Hernandez, “Neural network approach for the dynamics on the normally hyperbolic invariant manifold of periodically driven systems,” Phys. Rev. E 101, 022219 (2020). (doi:10.1103/PhysRevE.101.022219)

129. B. Mahala and R. Hernandez, “Solvent softness effects on unimolecular chemical reaction rate constants,” Chem. Phys. Let. 744, 137182 (2020). (doi:10.1016/j.cplett.2020.137182)

128. H. R. Bureau, S. Quirk and R. Hernandez, “Relative stability between trpzip1 and its mutants determined by computation and experiment,” RSC Advances 10, 6520 (2020). (doi:10.1039/d0ra00920b)

126. M. Feldmaier, R. Bardakcioglu, J. Reiff, J. Main, and R. Hernandez, “Phase-space resolved rates in driven multidimensional chemical reactions,” J. Chem. Phys. 151, 244108 (2019). (doi:10.1063/1.5127539)

125. G. Chong, I. U. Foreman-Ortiz, M. Wu, A. Bautista, C. J. Murphy, J. A. Pedersen, and R. Hernandez, “Defects in Self-Assembled Monolayers on Nanoparticles Prompt Phospholipid Extraction and Bilayer Curvature-Dependent Deformations,” J. Phys. Chem. C 123, 27951-27958 (2019) (doi:10.1021/ACS.JPCC.9B08583)

124. E. J. Tollefson, C. R. Allen, G. Chong, X. Zhang, N. D. Rozanov, A. Bautista, J. J. Cerda, J. A. Pedersen, C. J. Murphy, E. E. Carlson and R. Hernandez “Preferential Binding of Cytochrome c to an Anionic Ligand-Coated Gold Nanoparticle: A Complementary Computational and Experimental Approach,” ACS Nano 13, 6856 (2019). (doi:10.1021/acsnano.9b01622 )

● R. Hernandez, “Bringing diversity and inclusion to the ACS table,” C&EN 97:9, 47 (March 2, 2019). Hyperlink to C&EN

123. M. Wu, A. Vartanian, G. Chong, A. Pandiakumar, R. J. Hamers, R. Hernandez and C. Murphy, “Solution NMR analysis of ligand environment in quaternary ammonium-terminated self- assembled monolayers on gold nanoparticles: The effect of surface curvature and ligand structure,” J. Am. Chem. Soc. 141, 4316 (2019). (doi:10.1021/jacs.8b11445)

122. M. Feldmaier, P. Schraft, R. Bardakcioglu, J. Reiff, M. Lober, M. Tschöpe, A. Junginger, J. Main, T. Bartsch, and R. Hernandez, “Invariant Manifolds and Rate Constants in Driven Chemical Reactions,” J. Phys. Chem. 123, 2070 (2019). (doi:10.1021/acs.jpcb.8b10541)

121. G. Chong, E. D. Laudadio, M. Wu, C. J. Murphy, R. J. Hamers, and R. Hernandez, “Density, structure, and stability of Citrate³⁻ and H₂citrate⁻ on Bare and Coated Gold Nanoparticles,” J. Phys. Chem. C 122, 28393–28404 (2018). (doi:10.1021/acs.jpcc.8b09666)

120. B. D. Mahala and R. Hernandez, “Order parameters in the diffusion of rods through two- and three-dimensional fixed scatterers,” Phys. Rev. E 98, 042607 (2018), (doi:10.1103/PhysRevE.98.042607)

119. R. Bardakcioglu, A. Junginger, M. Feldmaier, J. Main and R. Hernandez, “Binary contraction method for the construction of time-dependent dividing surfaces in driven chemical reactions,” Phys. Rev. E 98, 032204 (2018). (doi:10.1103/PhysRevE.98.032204)

118. E. S. Melby, C. Allen, I. Foreman-Ortiz, E. Caudill, T. R. Kuech, A. M. Vartanian, X. Zhang, C. J. Murphy, R. Hernandez, and J. A. Pedersen, “Peripheral Membrane Proteins Facilitate Nanoparticle Binding at Lipid Bilayer Interfaces,” Langmuir 34, 10793 (2018). (doi:10.1021/acs.langmuir.8b02060)

116. L. L. Olenick, J. M. Troiano, A. Vartanian, E. S. Melby, A. C Mensch, L. Zhang, J. Hong, T. Qiu, J. Bozich, S. Lohse, X. Zhang, T. R Kuech, A. Millevolte, I. Gunsolus, A. C. McGeachy, M. Dogangun, T. Li, D. Hu, S. R. Walter, A. Mohaimani, A. Schmoldt, M. D. Torelli, K. R. Hurley, J. Dalluge, G. Chong, Z. V. Feng, C. L. Haynes, R. J. Hamers, J. A. Pedersen, Q. Cui, R. Hernandez, R. Klaper, G. Orr, C. J. Murphy and F. Geiger, “Lipid corona formation from nanoparticle interactions with bilayers and membrane-specific biological outcomes,” Chem. 4 2709 (2018). (doi:10.1016/j.chempr.2018.09.018) (ChemRxiv Preprint)

115. G. Chong and R. Hernandez, “Adsorption dynamics and structure of polycations on citrate-coated gold nanoparticles,” J. Phys. Chem. C 122, 19962 (2018). (doi:10.1021/acs.jpcc.8b05202)

114. P. Schraft, A. Junginger, M. Feldmaier, R. Bardakcioglu, J. Main, G. Wunner and R. Hernandez, “Neural network approach to time-dependent dividing surfaces in classical reaction dynamics,” Phys. Rev. E. 97, 042309 (2018). (doi:10.1103/PhysRevE.97.042309)

113. S. Quirk, M. M. Hopkins, H. Bureau, R. J. Lusk, C. Allen, R. Hernandez and D. Bain, “Mutational analysis of neuropeptide Y reveals unusual thermal stability linked to higher-order self-association,” ACS Omega 3, 2141 (2018). (doi:10.1021/acsomega.7b01949 )

112. J. T. Buchman, A. Rahnamoun, K. M. Landy, X. Zhang, A. M. Vartanian, L. M. Jacob, C. J. Murphy, R. Hernandez, and C. L. Haynes, “Using an environmentally-relevant panel of Gram-negative bacteria to assess the toxicity of polyelectrolyte-wrapped gold nanoparticles,” Environ. Sci. Nano 5, 279 (2018). (doi:10.1039/C7EN00832E)

111. D. Stallings, S. K. Iyer, and R. Hernandez, “National Diversity Equity Workshop 2017: Focus on Underrepresented Minorities in Chemistry Faculties.” in National Diversity Equity Workshops in Chemical Sciences (2011-2017), ACS Symposium Series 1277, edited by R. Hernandez, D. Stallings and S. K. Iyer, Chapter. 5, pp. 109-140 (American Chemical Society, Washington DC, 2018). Peer reviewed. (doi:10.1021/bk-2018-1277.ch005)

110. S. K. Iyer, D. Stallings, and R. Hernandez, “National Diversity Equity Workshop 2015: Intersectionality in Chemistry Faculties,” in National Diversity Equity Workshops in Chemical Sciences (2011-2017), ACS Symposium Series 1277, edited by R. Hernandez, D. Stallings and S. K. Iyer, Chapter. 4, pp. 79-107 (American Chemical Society, Washington DC, 2018). Peer reviewed. (doi:10.1021/bk-2018-1277.ch004)

109. D. Stallings, S. K. Iyer, and R. Hernandez, “National Diversity Equity Workshop 2013: Lowering Barriers for all Under-Represented Chemistry Professors,” in National Diversity Equity Workshops in Chemical Sciences (2011-2017), ACS Symposium Series 1277, edited by R. Hernandez, D. Stallings and S. K. Iyer, Chapter. 3, pp. 51-77 (American Chemical Society, Washington DC, 2018). Peer reviewed. (doi:10.1021/bk-2018-1277.ch003)

108. S. K. Iyer, D. Stallings, and R. Hernandez, “National Diversity Equity Workshop 2011: Lowering Barriers for all Under-Represented Chemistry Professors,” in National Diversity Equity Workshops in Chemical Sciences (2011-2017), ACS Symposium Series 1277, edited by R. Hernandez, D. Stallings and S. K. Iyer, Chapter. 2, pp. 21-49 (American Chemical Society, Washington DC, 2018). Peer reviewed. (doi:10.1021/bk-2018-1277.ch002)

107. D. Stallings, S. K. Iyer, and R. Hernandez, “National Diversity Equity Workshops: Advancing Diversity in Academia,” in National Diversity Equity Workshops in Chemical Sciences (2011-2017), ACS Symposium Series 1277, edited by R. Hernandez, D. Stallings and S. K. Iyer, Chapter. 1, pp. 1-19 (American Chemical Society, Washington DC, 2018). Peer reviewed. (doi:10.1021/bk-2018-1277.ch001)

105. M. Feldmaier, A. Junginger, J. Main, G. Wunner, and R. Hernandez, “Obtaining time-dependent multi-dimensional dividing surfaces using Lagrangian descriptors,” Chem. Phys. Let 687, 194 (2017). (doi:10.1016/j.cplett.2017.09.008)

104. G. T. Craven, A. Junginger and R. Hernandez, “Lagrangian descriptors of driven chemical reaction manifolds,” Phys. Rev. E 96, 022222 (2017). (doi:10.1103/PhysRevE.96.022222)

103. F. Revuelta, G. T. Craven, T. Bartsch, F. Borondo, R. Benito and R. Hernandez, “Transition state theory for activated systems with driven anharmonic barriers,” J. Chem. Phys. 147, 074104 (2017). (doi:10.1063/1.4997571)

102. A. Junginger, L. Duvenbeck, M. Feldmaier, J. Main, G. Wunner, and R. Hernandez, “Chemical dynamics between wells across a time-dependent barrier: Self-similarity in the Lagrangian descriptor and reactive basins,” J. Chem. Phys. 147, 064101 (2017). (doi:10.1063/1.4997379)

101. A. Junginger, J. Main, G. Wunner, and R. Hernandez, “Variational principle for the determination of unstable periodic orbits and instanton trajectories at saddle points,” Phys. Rev. A 95, 032130 (2017). doi:10.1103/PhysRevA.95.032130

100. D. Stallings, S. Iyer, and R. Hernandez “Accelerating Change: #DiversitySolutions on Social Media.” in Diversity in the Scientific Community Volume 2: Perspectives and Exemplary Programs, ACS Symposium Series 1256, edited by H. N. Cheng, and D. Nelson, Chapter. 6, pp. 67-75 (American Chemical Society, Washington DC, 2017). Peer reviewed. doi:10.1021/bk-2017-1256.ch006

99. R. Hernandez, D. Stallings, and S. Iyer “The Gender and URM Faculty Demographics Data Collected by OXIDE,” in Diversity in the Scientific Community Volume 1: Quantifying Diversity and Formulating Success, ACS Symposium Series 1255, edited by H. N. Cheng, and D. Nelson, Chapter. 4, pp. 101-112 (American Chemical Society, Washington DC, 2017). Peer reviewed. doi:10.1021/bk-2017-1255.ch004

98. R. Hernandez, M. Stains, K. S. Bjorkman, A. Donovan, P. Dorhout, A. L. Feig, P. W. Hammer, J. L. Ross, J. Wesemann, and S. K. Iyer “Leadership Training for Teacher-Scholars,” in Educational and Outreach Projects from the Cottrell Scholars Collaborative: Professional Development and Outreach Volume 2, ACS Symposium Series 1259, edited by R. Waterman and A. Feig, Chapter. 4, pp. 35-49 (American Chemical Society, Washington DC, 2017). Peer reviewed. doi:10.1021/bk-2017-1259.ch004

97. I. S. Ulusoy, D. A. Andrienko, I. D. Boyd, and R. Hernandez, “Quantal treatment of O2-Ar vibrational relaxation at hypersonic temperatures,” 55th AIAA Aerospace Sciences Meeting, AIAA SciTech Forum, (AIAA 2016-0661), Jan 2017. (doi:10.2514/6.2017-0661)

● R. Hernandez, “OneChemistry in the Marketplace of Ideas”, C&EN 95:17, 41 (April 24, 2017). Hyperlink to C&EN

96. I. S. Ulusoy, D. A. Andrienko, I. D. Boyd, and R. Hernandez, “Erratum: ‘Quantum and quasi-classical collisional dynamics of O2-Ar at high temperatures’ [J. Chem. Phys. 144, 234311 (2016)],” J. Chem. Phys. 145, 23 (2016). (doi:10.1063/1.4972054)

94. J. T. Buchman, M. J. Gallagher, C.-T. Yang, X. Zhang, M. O. P. Krause, R. Hernandez, G. Orr, “Research highlights: examining the effect of shape on nanoparticle interactions with organisms,” Environ. Sci.: Nano 3, 696 (2016). (doi:10.1039/c6en90015a)

93. A. Junginger and R. Hernandez, “Lagrangian descriptors in dissipative systems,” Phys. Chem. Chem. Phys. 18, 30282 (2016). (In the themed issue on “Insights from advanced methods in molecular dynamics.”) (doi:10.1039/C6CP02532C)

92. A. Junginger, G. T. Craven, F. Revuelta, T. Bartsch, F. Borondo, R. M. Benito and R. Hernandez, “Transition state geometry of driven chemical reactions on time-dependent double-well potentials,” Phys. Chem. Chem. Phys. 18,30270 (2016). (In the themed issue on “Insights from advanced methods in molecular dynamics.”) (doi:10.1039/C6CP02519F)

91. I. S. Ulusoy, D. A. Andrienko, I. D. Boyd and R. Hernandez, “Quantum and quasi-classical collisional dynamics of O₂-Ar at high temperatures,” J. Chem. Phys. 144, 234311 (2016). (doi:10.1063/1.4954041, JCP URL)

90. F. Revuelta, Thomas Bartsch, P. L. Garcia-Muller, R. Hernandez, R. M. Benito and F. Borondo, “Transition state theory for solvated reactions beyond recrossing-free dividing surfaces,” Phys. Rev. E 93, 062304 (2016). (doi:10.1103/PhysRevE.93.062304)

89. H. R. Bureau, E. Hershkovits, S. Quirk and R. Hernandez, “Determining the energetics of small β-sheet peptides using Adaptive Steered Molecular Dynamics,” J. Chem. Theory Comput 12, 2028 (2016). doi:10.1021/acs.jctc.5b01110

88. G. T. Craven and R. Hernandez, “Deconstructing field-induced ketene isomerization through Lagrangian descriptors,” Phys. Chem. Chem. Phys. 18, 4008 (2016). (doi:10.1039/C5CP06624G)

87. A. Junginger, P. L. Garcia Muller, F. Borondo, R. M. Benito and R. Hernandez, “Solvated molecular dynamics of LiCN isomerizaion: All-atom argon solvent versus a generalized Langevin bath,” J. Chem. Phys. 144, 024104 (2016). (doi:10.1063/1.4939480)

86. A. Junginger and R. Hernandez, “Uncovering the geometry of barrierless reactions using Lagrangian descriptors,” J. Phys. Chem. B, 120, 1720 (2016). (In the Bruce C. Garrett Festschrift issue, March 2, 2016.) (doi:10.1021/acs.jpcb.5b09003)

85. K. Solntsev, A. Popov, V. Solovyeva, S. Abou Al-Ainain, Y. Ilitchev, R. Hernandez and M. Kuzmin, “Kinetics of intra- and intermolecular excited-state proton transfer of ω-(2-hydroxynaphthyl-1)-decanoic acid in homogeneous and micellar solutions,” Methods Appl. Fluoresc. 4, 014001 (2016). (doi:10.1088/2050-6120/4/1/014001)

● R. Hernandez, “Academic Leadership Skills 101”, C&EN 94:10, 47 (March 7, 2016). Hyperlink to C&EN

84. A. V. Popov, G. T. Craven, and R. Hernandez, “Nonequilibrium structure in sequential assembly,” Phys. Rev. E 92, 052108 (2015). (doi:10.1103/PhysRevE.92.052108)

83. G. T. Craven and R. Hernandez, “Lagrangian descriptors of thermalized transition states on time-varying energy surfaces,” Phys. Rev. Let. 115, 148301 (2015). (doi: 10.1103/PhysRevLett.115.148301)

82. C. Murphy, A. Vartanian, F. Geiger, R. Hamers, J. Pedersen, Q. Cui, C. Haynes, E. Carlson, R. Hernandez, R. Klaper, G. Orr, Z. Rosenzweig, “Biological Responses to Engineered Nanomaterials: Needs for the Next Decade,” ACS Central Science 1, 117 (2015). (OpenAccess Direct Link, doi:10.1021/acscentsci.5b00182)

81. H. R. Bureau, D. Merz Jr., E. Hershkovits, S. Quirk and Rigoberto Hernandez, “Constrained unfolding of a helical peptide: Implicit versus Explicit Solvents,” PLoS ONE 10, e0127034 (2015). (doi: 10.1371/journal.pone.0127034, OA data is also available through SMARTech)

80. G. T. Craven, A. V. Popov, and R. Hernandez, “Stochastic dynamics of penetrable rods in one dimension: Entangled dynamics and transport properties,” J. Chem. Phys. 142, 154906 (2015). (doi: 10.1063/1.4918370)

79. G. T. Craven, T. Bartsch and R. Hernandez, “Chemical reactions induced by oscillating external fields in weak thermal environments,” J. Chem. Phys. 142, 074108 (2015). (doi: 10.1063/1.4907590)

● R. Hernandez, “The Private Sector’s Role In Chemistry’s Future,” C&EN 93:37, 33 (September 21, 2015). Hyperlink to C&EN

● R. Hernandez, “Diversity in Academia: Solutions To Get There,” C&EN 93:33, 40 (August 24, 2015). Hyperlink to C&EN

78. P. L. Garcia Muller, R. Hernandez, R. M. Benito and F. Borondo, “The role of the CN vibration in the activated dynamics of LiNC → LiCN isomerization in argon-solvent at high temperatures,” J. Chem. Phys. 141, 074312 (2014). (doi: 10.1063/1.4892921)

77. R. Hernandez and S. Watt in “A top-down approach for diversity and inclusion in chemistry departments,” Careers, Entrepreneurship, and Diversity: Challenges and Opportunities in the Global Chemistry Enterprise, ACS Symposium Series 1169, edited by H. N. Cheng, S. Shah, and M. L. Wu, Chapter. 19, pp. 207-224 (American Chemical Society, Washington DC, 2014). (ISBN13: 9780841229709, eISBN: 9780841229716, doi: 10.1021/bk-2014-1169.ch019)

76. G. T. Craven, A. V. Popov, and R. Hernandez, “Effective surface coverage of coarse grained soft matter,” J. Phys. Chem. B 118, 14092 (2014). (In the Spectroscopy of Nano- and Biomaterials Special Issue, doi: 10.1021/jp505207h)

75. G. Ozer, T. Keyes, S. Quirk and R. Hernandez, “Multiple branched adaptive steered molecular dynamics,” J. Chem. Phys. 141, 064101 (2014). (doi: 10.1063/1.4891807)

74. G. T. Craven, T. Bartsch and R. Hernandez, “Communication: Transition state trajectory stability determines barrier crossing rates in chemical reactions induced by time-dependent oscillating fields,” J. Chem. Phys. 141, 041106 (2014). (Communication: doi:10.1063/1.4891471)

73. I. S. Ulusoy and R. Hernandez, “Revisiting roaming trajectories in ketene isomerization at higher dimensionality,” Theoretical Chemistry Accounts 133, 1528 (2014). (In the Greg Ezra Festschrift issue, doi:10.1007/s00214-014-1528-z)

72. R. Hernandez and A. V. Popov, “Molecular dynamics out of equilibrium: Mechanics and measurables,” WIREs Comput. Mol. Sci., 4, 541-561 (2014). (doi:10.1002/wcms.1190)

71. G. T. Craven, A. V. Popov, and R. Hernandez, “Structure of a tractable stochastic mimic of soft particles,” Soft Matter, 10, 5350-5361 (2014). (doi:10.1039/C4SM00751D)

70. G. T. Craven, T. Bartsch and R. Hernandez, “Persistence of transition state structure in chemical reactions driven by fields oscillating in time,” Phys. Rev. E. 89, 040801(R) (2014). (Rapid Communication: doi:10.1103/PhysRevE.89.040801 / PRE Link)

68. I. S. Ulusoy, J. F. Stanton and R. Hernandez, “Erratum: `Effects of roaming trajectories on the transition state theory rates of a reduced-dimensional model of ketene isomerization’,” J. Phys. Chem. A, 117, 10567-10568 (2013). (doi:10.1021/jp408997z)

67. A. V. Popov and R. Hernandez, “Temperature-driven irreversible generalized Langevin equation can capture the nonequilibrium dynamics of two dissipated coupled oscillators,” Phys. Rev. E, 88, 032145 (2013). (doi:10.1103/PhysRevE.88.032145)

66. I. S. Ulusoy, J. F. Stanton and R. Hernandez, “Effects of roaming trajectories on the transition state theory rates of a reduced-dimensional model of ketene isomerization,” J. Phys. Chem. A 117, 7553-7560 (2013). (In the Joel Bowman Festschrift issue.) (doi:10.1021/jp402322h)

65. G. T. Craven, A. V. Popov and R. Hernandez, “Stochastic dynamics of penetrable rods in one dimension: Occupied volume and spatial order,” J. Chem. Phys. 138, 244901 (2013). (doi:10.1063/1.4810807)

64. M. C. Hagy and R. Hernandez, “Dynamical simulation of dipolar Janus colloids: Dynamical properties,” J. Chem. Phys. 138, 184903 (2013). (doi:10.1063/1.4803864)

63. P. L. García-Müller, R. Hernandez, R. M. Benito and F. Borondo, “Detailed study of the direct numerical observation of the Kramers turnover in the LiNC→LiCN isomerization rate,” J. Chem. Phys. 137, 204301 (2012). (doi:10.1063/1.4766257)

62. G. Ozer, S. Quirk and R. Hernandez, “Thermodynamics of decaalanine stretching in water obtained by adaptive steered molecular dynamics simulations,” J. Chem. Theory Comput. 8, 4837-4844 (2012). (doi:10.1021/ct300709u)

61. M. C. Hagy and R. Hernandez, “Dynamical Simulation of Dipolar Janus Colloids: Equilibrium Structure and Thermodynamics,” J. Chem. Phys. 137, 044505 (2012). (doi:10.1063/1.4737432)

60. G. Ozer, S. Quirk and R. Hernandez, “Adaptive steered molecular dynamics: Validation of the selection criterion and benchmarking energetics in vacuum,” J. Chem. Phys. 136, 215104 (2012). (doi:10.1063/1.4725183)
Selected for the June 15, 2012 issue of the Virtual Journal of Biological Physics Research.

58. A. V. Popov, E.-A. Gould, M. A. Salvitti, R. Hernandez and K. M. Solntsev, “Diffusional effects on the reversible excited-state proton transfer. From experiments to Brownian dynamics simulations,” Phys. Chem. Chem. Phys. 13, 14914-14927 (2011). (doi:10.1039/C1CP20952C)

57. A. K. Tucker and R. Hernandez, “Absence of enhanced diffusion in the dynamics of a thick needle through three-dimensional fixed point scatterers,” J. Phys. Chem. B 115, 4412-4418 (2011). (doi:10.1021/jp201867f)

56. A. V. Popov, D. Viehman and R. Hernandez, “Nonequilibrium heat flows through a nanorod sliding across a surface.” J. Chem. Phys. 134, 104703:1-12 (2011). (doi:10.1063/1.3561296)
Selected for the March 21, 2011 issue of the Virtual Journal of Nanoscale Science & Technology.

55. G. Ozer, E. Valeev, S. Quirk and R. Hernandez; “Adaptive steered molecular dynamics of the long-distance unfolding of Neuropeptide Y,” J. Chem. Theory Comput., 6, 3026-3038 (2010). (doi:10.1021/ct100320g)

54. A. K. Tucker and R. Hernandez, “Observation of a Trapping Transition in the Diffusion of a Thick Needle through Fixed Point Scatterers,” J. Phys. Chem. A 114, 9628-9634 (2010). (In the Reinhard Schinke Festschrift issue.) (doi:10.1021/jp100111y)

52. P. Saalfrank, T. Klamroth, T. Vazhappilly and R. Hernandez, “Theory of femtochemistry at metal surfaces: Associative molecular photodesorption as a case study,” in Dynamics at solid state surfaces and interfaces, Part IIi: Current Developments, edited by U. Bovensiepen, H. Petek, and M. Wolf (Wiley-VCH, 2010). ISBN-10: 3-527-40938-6 Wiley-VCH link

51. A. V. Popov and R. Hernandez, “Diffusion in a nonequilibrium binary mixture of hard spheres swelling at different rates,” J. Chem. Phys. 131, 024503 (2009). (doi:10.1063/1.3168405)
Selected for the July 27, 2009 issue of the Virtual Journal of Nanoscale Science & Technology.

50. T. Vazhappilly, T. Klamroth, P. Saalfrank, and R. Hernandez, “Femtosecond-laser desorption of H2 (D2) from Ru(0001): Quantum and classical approaches,” J. Phys. Chem. C 113, 7790-7801 (2009). (doi:10.1021/jp810709k)

49. S. Quirk, S. Zhong, and R. Hernandez, “De novo identification of binding sequences for antibody replacement molecules,” Proteins: Struct. Func. Bioinfo. 76, 693-705 (2009). (doi:10.1002/prot.22382)

48. J. L. Gohres, A. V. Popov, R. Hernandez, C. L. Liotta, and C. A. Eckert; “Molecular dynamics simulations of solvation and solvent reorganization dynamics in CO₂-expanded methanol and acetone,” J. Chem. Theory Comput., 5, 267-275 (2009). (doi:10.1021/ct800353s)

47. J. L. Gohres, R. Hernandez, C. L. Liotta, and C. A. Eckert; “Viewing the cybotactic structure of gas-expanded liquids,” in Gas-Expanded Liquids and Near-Critical Media: Green Chemistry and Engineering, ACS Symposium Series No. 1006, edited by K. W. Hutchenson, A. M. Scurto, and B. Subramaniam (American Chemical Society: Washington, D.C., 2009), Chapter 4, pp. 81-94. (doi:10.1021/bk-2009-1006.ch004)

46. P. L. García-Müller, F. Borondo, R. Hernandez and R. M. Benito, “Solvent-induced acceleration in an activated molecular reaction,” Phys. Rev. Let. 101, 178302 (2008). (doi:10.1103/PhysRevLett.101.178302)

45. J. L. Gohres, C. L. Shukla, A. V. Popov, R. Hernandez, C. L. Liotta, and C. A. Eckert; “Effects of Solute Structure on Local Solvation and Solvent Interactions: Results from UV/Vis Spectroscopy and Molecular Dynamics Simulations,” J. Phys. Chem. B 112, 14993-14998 (2008). (doi:10.1021/jp806135s)

44. Y. Qin, A. V. Popov, and R. Hernandez, “Stochastic models for polymerization reactions under nonequilibrium conditions,” Ann. Rep. Comp. Chem. 4, 173-199 (2008). (doi:10.1016/S1574-1400(08)00010-8)

43. T. Bartsch, J. M. Moix, R. Hernandez, S. Kawai, and T. Uzer, “Time-dependent transition state theory,” Adv. Chem. Phys. 140, 191-238 (2008). (doi:10.1002/9780470371572.ch4, ISBN: 978-0-470-22688-9)

42. J. L. Gohres, C. L. Kitchens, J. P. Hallett, A. V. Popov, R. Hernandez, C. L. Liotta, and C. A. Eckert; “A spectroscopic and computational exploration of the cybotactic region of gas-expanded liquids: Methanol and acetone,” J. Phys. Chem. B 112, 4666-4673 (2008). (doi:10.1021/jp077552p)

41. T. Bartsch, T. Uzer, J. M. Moix, and R. Hernandez, “Transition state theory rate calculations with a recrossing-free moving dividing surface,” J. Phys. Chem. B 112, 206-212 (2008). (In the James T. Hynes Festschrift issue.) (doi:10.1021/jp0755600)

40. J. M. Moix, R. Hernandez, and E. Pollak, “Momentum and velocity autocorrelation functions of a diatomic molecule are not necessarily proportional to each other,” J. Phys. Chem. B 112, 213-218 (2008). (In the James T. Hynes Festschrift issue.) (doi:10.1021/jp0730951)

39. J. M. Moix and R. Hernandez, “The role of long-time correlation in dissipative adsorbate dynamics on metal surfaces,” Ann. Rep. Comp. Chem. 3, 137-151 (2007). (doi:10.1016/S1574-1400(07)03008-3)

38. A. V. Popov and R. Hernandez, “Ontology of temperature in nonequilibrium systems,” J. Chem. Phys. 126, 244506 (2007). (doi:10.1063/1.2743032, arXiv:0705.0745)

37. C. L. Shukla, J. P. Hallett, A. V. Popov, R. Hernandez, C. L. Liotta, and C. A. Eckert; “Molecular Dynamics Simulation of the Cybotactic Region in Gas-Expanded Methanol-Carbon Dioxide and Acetone-Carbon Dioxide Mixtures,” J. Phys. Chem. B 110, 24101-24111 (2006). (doi:10.1021/jp0648947)

36. S. Zhong, J. M. Moix, S. Quirk, and R. Hernandez; “Dihedral-angle information entropy as a gauge of secondary structure propensity,” Biophys. J. 91, 4014-4023 (2006). (doi:10.1529/biophysj.106.089243)

35. J. P. Hallett, Christopher L. Kitchens, R. Hernandez, C. Liotta, and Charles Eckert, “Probing the Cybotactic Region in Gas-Expanded Liquids (GXLs),” Acc. Chem. Res., 39, 531 (2006). (doi:10.1021/ar0501424, ACR abstract)

34. T. Bartsch, T. Uzer, J. M. Moix and R. Hernandez; “Identifying reactive trajectories using a moving transition state,” J. Chem. Phys. 124, 244310 (2006). (cond-mat/0604640, doi:10.1063/1.2206587)

33. A. V. Popov, J. Melvin, and R. Hernandez; “Dynamics of swelling/contracting hard spheres surmised by an irreversible Langevin equation,” J. Phys. Chem. A 110, 1635-1644 (2006). (In the William L. Hase Festschrift issue.) (doi:10.1021/jp054241a)

32. T. Bartsch, T.Uzer and R. Hernandez; “Stochastic transition states: Reaction geometry amidst noise,” J. Chem. Phys. 123, 204102 (2005). (cond-mat/0509425, doi:10.1063/1.2109827)

31. M. Vogt and R. Hernandez; “An idealized model for nonequilibrium dynamics in molecular systems,” J. Chem. Phys. 123, 144109 (2005). (cond-mat/0501328, doi:10.1063/1.2052594)

30. T. Bartsch, R. Hernandez, and T. Uzer; “Transition state in a noisy environment,” Phys. Rev. Let. 95, 058301 (2005). (cond-mat/0506231, doi:10.1103/PhysRevLett.95.058301)

29. J. M. Moix and R. Hernandez; “Dissipating the Langevin equation in the presence of an external stochastic potential,” J. Chem. Phys. 122, 114111 (2005). (cond-mat/0501327, doi:10.1063/1.1870875)

28. E. Hershkovitz and R. Hernandez; “Chemical reaction dynamics within anisotropic solvents in time-dependent fields,” J. Chem. Phys. 122, 014509 (2005). (cond-mat/0501434, doi:10.1063/1.1829252)

27. J. M. Moix, T. D. Shepherd, and R. Hernandez; “A phenomenological model for surface diffusion: diffusive dynamics across incoherent stochastic aperiodic potentials,” J. Phys. Chem. B 108, 19476-19482 (2004). (doi:10.1021/jp046629w)

26. C. R. Locker and R. Hernandez, “Folding behavior of model proteins with weak energetic frustration,” J. Chem. Phys. 120, 11292-11303 (2004). (doi:10.1063/1.1751394)

25. C.-S. Liu, R. Hernandez, and G. B. Schuster; “Mechanism for radical cation transport in duplex DNA oligonucleotides,” J. Am. Chem. Soc. 126, 2877-2884 (2004). (doi:10.1021/ja0378254)

24. E. F. Valeev, W. D. Allen, R. Hernandez, C. D. Sherrill, H. F. Schaeffer III; “On the accuracy of orbital expansion methods: Explicit effects of k-functions on atomic and molecular energies,” J. Chem. Phys. 118, 8594-8610 (2003). (doi:10.1063/1.1566744)

23. T. D. Shepherd and R. Hernandez; “An optimized mean first passage time approach to obtaining rates in activated processes,” J. Chem. Phys. 117, 9227-9233 (2002). (doi:10.1063/1.1516590)

22. P. Doruker, R. L. Jernigan, I. Navizet and R. Hernandez; “Important fluctuation dynamics of large protein structures are preserved upon renormalization,” Int. J. Quant. Chem. 90, 822-837 (2002). (In the Per-Olov Lowdin Festschrift issue.) (doi:10.1002/qua.955)

21. T. D. Shepherd and R. Hernandez; “Activated dynamics across aperiodic stochastic potentials,” J. Phys. Chem. B 106, 8176-8181 (2002). (In the John C. Tully Festschrift issue.) (doi:10.1021/jp020620h)

20. M. T. Vogt and R. Hernandez; “A three-dimensional polymer growth model,” J. Chem. Phys. 116, 10485-10491 (2002). (doi:10.1063/1.1477455)

19. T. D. Shepherd and R. Hernandez; “Chemical reaction dynamics with stochastic potentials beyond the high-friction limit,” J. Chem. Phys. 115, 2430-2438 (2001). (doi:10.1063/1.1386422)

18. C. R. Locker and R. Hernandez; “A minimalist model protein with multiple folding funnels,” Proc. Natl. Acad. Sci. USA 98, 9074-9079 (2001). (doi:10.1073/pnas.161438898)

17. M. T. Vogt and R. Hernandez; “A two-dimensional polymer growth model,” J. Chem. Phys. 115, 1575-1585 (2001). (doi:10.1063/1.1380709)

16. E. Hershkovitz and R. Hernandez; “Fast numerical integrator for stochastic differential equations with nonstationary multiplicative noise,” J. Phys. Chem. A 105, 2687-2693 (2001). (In the William H. Miller Festschrift issue.) (doi:10.1021/jp0037044)

15. R. Hernandez and F. L. Somer; “Nonstationary stochastic dynamics and applications to chemical physics,” in Theoretical Methods in Condensed Phase Chemistry, edited by S. Schwartz (Kluwer Academic, The Netherlands, 2000). (doi:10.1007/0-306-46949-9_4)

14. F. L. Somer and R. Hernandez; “Stochastic dynamics in irreversible nonequilibrium environments. 4. Self-consistent coupling in heterogeneous environments,” J. Phys. Chem. B 104, 3456 (2000). (doi:10.1021/jp9928762)

13. F. L. Somer and R. Hernandez; “Stochastic dynamics in irreversible nonequilibrium environments. 3. Temperature-ramped chemical kinetics,” J. Phys. Chem. A 103, 11004 (1999). (doi:10.1021/jp9915836)

12. R. Hernandez; “The projection of a mechanical system onto the irreversible generalized Langevin equation (iGLE),” J. Chem. Phys. 111, 7701 (1999). ( doi:10.1063/1.480160)

11. R. Hernandez and F. L. Somer; “Stochastic dynamics in irreversible nonequilibrium environments. 2. A model for thermosetting polymerization,” J. Phys. Chem. B 103, 1070 (1999). (doi:10.1021/jp9836269)

10. R. Hernandez and F. L. Somer; “Stochastic dynamics in irreversible nonequilibrium environments. 1. The Fluctuation-Dissipation Relation,” J. Phys. Chem. B 103, 1064 (1999). (doi:10.1021/jp983625g)

9. R. Hernandez and G. A. Voth; “Quantum time correlation functions and classical coherence,” Chem. Phys. 233, 243-255 (1998). (doi:10.1016/S0301-0104(98)00027-5)

– R. Hernandez and E. Pollak; “Reduced-dimensional semiclassical reaction rate theory for dissipative systems,” unpublished notes.

8. R. Hernandez, J. Cao and G. A. Voth; “On the Feynman path centroid density as a phase space distribution in quantum statistical mechanics, ” J. Chem. Phys. 103, 5018 (1995). (doi:10.1063/1.470588)

7. R. Hernandez; “A combined use of perturbation theory and diagonalization: application to bound energy levels and semiclassical rate theory,” J. Chem. Phys. 101, 9534 (1994). (doi:10.1063/1.467985)

6. R. Hernandez and W. H. Miller, “Semiclassical transition state theory – a new perspective,” Chem. Phys. Lett. 214, 129 (1993). (doi:10.1016/0009-2614(93)90071-8)

5. R. Hernandez, W. H. Miller, C. B. Moore and W. F. Polik; “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,” J. Chem. Phys. 99, 950 (1993). (doi:10.1063/1.465360)

4. M. J. Cohen, N. C. Handy, R. Hernandez and W. H. Miller; “Cumulative reaction probabilities for H+H₂→H₂+H from a knowledge of the anharmonic force field,” Chem. Phys. Lett. 192, 407 (1992). (doi:10.1016/0009-2614(92)85491-R)

3. W. H. Miller, R. Hernandez, C. B. Moore and W. F. Polik; “A transition state theory-based statistical distribution of unimolecular decay rates, with application to unimolecular decomposition of formaldehyde,” J. Chem. Phys. 93, 5657 (1990). (doi:10.1063/1.459636)

2. W. H. Miller, R. Hernandez, N. C. Handy, D. Jayatilaka and A. Willetts; “Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities,” Chem. Phys. Lett. 172, 62 (1990). (doi:10.1016/0009-2614(90)87217-F)

1. S. L. Coy, R. Hernandez and K. K. Lehmann; “Limits on the transition to Gaussian orthogonal ensemble behavior: Saturated radiationless transitions between strongly coupled potential surfaces,” Phys. Rev. A 40, 5935 (1989). (doi:10.1103/PhysRevA.40.5935)