1. 2-Halomethyleneoxetanes from 2-Methyleneoxetanes by Reaction with N-Halosuccinimides: Reactant Influences on Stereochemical Outcomes and Reaction Pathways
    Dennis Sulwey, Julia B. DiSapio, José A. Gascón, and Amy R. Howell J. Org. Chem. (2024) 89, 16571–16585 [DOI]

  2. Structural Models of the First Molecular Events in the Heliorhodopsin Photocycle
    Kithmini Wijesiri and José A. Gascón J. Phys. Chem. B (2024) 128, 5966–5972 [DOI]

  3. A Humanized Mouse Model Coupled with Computational Analysis Identifies Potent Glycolipid Agonist of Invariant NKT Cells
    Noemi A. Saavedra-Avila, Natalia B. Pigni, Donald R. Caldwell, Florencia Chena-Becerra, Jose Intano Jr, Tony W. Ng, Divya Chennamadhavuni, Steven A. Porcelli, José A. Gascón, Amy R. Howell ACS Chemical Biology (2024) 19, 926–937 [DOI]

  4. How Carbene Ligands Transform AuAg Alloy Nanoclusters for Electrocatalytic Urea Synthesis
    Jingjing Zhang, Yifei Zhang, Zhaoxian Qin, Zhiwen Li, Zhaohui Tong, Zhen Zhao,José A. Gascón, and Gao Li Angew. Chem. Int. Ed. (2024) e202420993 [DOI]

  5. Engineering Supramolecular Hybrid Architectures with Directional Organofluorine Bonds
    Patience A. Kotei, Daniel W. Paley, Vanessa Oklejas, David W. Mittan-Moreau, Elyse A. Schriber, Mariya Aleksich, Maggie C. Willson, Ichiro Inoue, Shigeki Owada, Kensuke Tono, Michihiro Sugahara, Satomi Inaba-Inoue, Andrew Aquila, Frédéric Poitevin, Johannes P. Blaschke, Stella Lisova, Mark S. Hunter, Raymond G. Sierra, José A. Gascón, Nicholas K. Sauter, Aaron S. Brewster, James Nathan Hohman Small Sci. (2024) 4, 2300110 [DOI]

  6. Photoactivation of the orange carotenoid protein requires two light-driven reactions mediated by a metastable monomeric intermediate
    Justin B Rose, José A Gascón, Markus Sutter, Damien I Sheppard, Cheryl A Kerfeld, Warren F Beck Physical Chemistry Chemical Physics (2023) 25, 33000-33012 [DOI]

  7. Deciphering electrochemical interactions in metal–polymer catalysts for CO2 reduction
    Xingyu Wang, Sanjubala Sahoo, Jose Gascon, Mikhail Bragin, Fangyuan Liu, Julia Olchowski, Samuel Rothfarb, Yuankai Huang, Wenjun Xiang, Pu-Xian Gao, S Pamir Alpay, Baikun Li Energy & Environmental Science (2023) 16, 4388-4403 [DOI]

  8. Re-examining Cannabidiol: Conversion to Tetrahydrocannabinol Using Only Heat
    Daniels, R.; Yassin, O. A; Toribio, J. M.; Gascón, J. A.; Sotzing, G. Cannabis and Cannabinoid Research (2022) ASAP. [PDF] [DOI]

  9. Syntheses and Aromaticity Parameters of Hexahydroxypyrrocorphin, Porphotrilactones, and Their Oxidation State Intermediates
    Nisansala, H.; Guberman-Pfeffer, M. J.; Chaudhri, N.; Zeller, M.; Gascón, J. A.; Brückner, C. J. Org. Chem. (2022) 87, 12096-12108. [DOI]

  10. Microsolvation Effects in the Spectral Tuning of Heliorhodopsin
    Wijesiri, K.; Gascón, J. A. J. Phys. Chem (2022) 126, 5803-5809. [DOI]

  11. Electronic energy levels of porphyrins are influenced by the local chemical environment
    Wolf, M.; Ortiz-Garcia, J.J.; MJ Guberman-Pfeffer; Gascón, J. A.; Quardokus, R. C RSC Advances (2022) 12, 1361-1365. [DOI]

  12. A favorable path to domain separation in the orange carotenoid protein
    Sharawy, M.; Pigni, N.B.; May, E.R.; Gascón, J. A. Prot. Sci. (2022) 31, 850-863. [DOI]

  13. Easily accessible non-aromatic heterocycles with handles- 4-bromo-2, 3-dihydrofurans from 1, 2-dibromohomoallylic alcohols
    An, J.; Intano, J.; Richard, A.; Kim, T.; Gascón, J. A.; Howell, A. R Chem. Sci. (2021) 12, 10347-10353. [DOI]

  14. High-Throughput Non-targeted Chemical Structure Identification Using Gas-Phase Infrared Spectra
    Karunaratne, E; Hill, D.W.; Pracht, P; Gascón, J.A.; Grimme, S.; Grant, D. F Anal. Chem. (2021) 93, 10688-10696. [DOI]

  15. Insights into Diastereotopic Effects in Thiolated Gold Nanoclusters
    Gelpí-Domínguez, S.; Rossi, A. R.; Gascón, J. A. Chem. Phys. Lett. (2021) 770, 138448. [DOI]

  16. Interexciton nonradiative relaxation pathways in the peridinin-chlorophyll protein
    Tilluck, R. W.; Ghosh, S.; Guberman-Pfeffer, M. J.; Roscioli, J. D.; Gurchiek, J. K.; LaFountain, A. M.; Frank, H. A.; Gascón, J. A.; Beck, W. F Cell Rep. Phys. Sci. (2021) 2, 100380. [DOI]

  17. Spectral Features of Canthaxanthin in HCP2: A QM/MM Approach
    Clark, K.; Pigni, N. B.; Wijesiri, K.; Gascón, J. A. Molecules (2021) 26, 2441. [DOI]

  18. Amide-Linked C4″-Saccharide Modification of KRN7000 Provides Potent Stimulation of Human Invariant NKT Cells and Anti-Tumor Immunity in a Humanized Mouse Model
    Saavedra-Avila, N. A.; Keshipeddy, S.; Guberman-Pfeffer, M. J.; Pérez-Gallegos, A.; Saini, N. K.; Schäfer, C.; Carreño, L. J.; Gascón, J. A.; Porcelli, S. A.; Howell, A. R. ACS Biology (2020) 15, 3176-3186. [DOI]

  19. Fluorescence Anisotropy Detection of Barrier Crossing and Ultrafast Conformational Dynamics in the S2 State of β-Carotene
    Gurchiek, J. K.; Rose, J. B.; Guberman-Pfeffer, M. J.; Tilluck, R. W.; Ghosh, S.; Gascón, J. A.; Beck, W. F J. Phys. Chem. B. (2020) 124, 9029-9046. [DOI]

  20. Interplay between Electrostatic Barriers and Compound Structural Features
    Jolin, W. C.; Richard, A.; Vasudevan, D.; Gascón, J. A.; MacKay, A. A. Environ. Sci. Technol. (2020) 54, 1623-1633. [DOI]

  21. Protein polarization effects in the thermodynamic computation of vibrational Stark shifts
    Richard, M. A.; Gascón, J. A. Theor. Chem. Acc. (2020) 139, 1-9. [DOI]

  22. Spectral Signatures of Canthaxanthin Translocation in the Orange Carotenoid Protein
    Pigni, N. B.; Clark, K. L.; Beck, W. F.; Gascón J. A., J. Phys. Chem. B. (2020) 124, 11387-11395. [DOI]

  23. Origins of the Electronic Modulations of Bacterio- and Isobacteriodilactone Regioisomers
    Guberman-Pfeffer, M. J.; Lalisse, R. M.; Hewage, N.; Brückner, C.; Gascón, J. A. J. Phys. Chem. A (2019) 123, 7470-7485. [DOI]

  24. A Supramolecular QM/MM Approach
    Guberman-Pfeffer, M. J.; Gascón, J. A. Molecules (2018) 23, 2589-2600. [DOI]

  25. Atomically precise Au144(SR)60 nanoclusters (R = Et, Pr) are capped by 12 distinct ligand types of 5-fold equivalence and display gigantic diastereotopic effects
    Dainese, T.; Agrachev, M.; Antonello, S.; Badocco, D.; Black, D. M.; Fortunelli, A.; Gascón, J. A.; Stener, M.; Venzo, A.; Whetten, R. L.; Maran, F Chem. Sci. (2018) 9, 8796-8805. [DOI]

  26. Dual Modifications of α-Galactosylceramide Synergize to Promote Activation of Human Invariant Natural Killer T Cells and Stimulate Anti-tumor Immunity.
    Chennamadhavuni, D.; Saavedra-Avila, N. A.; Carreño, L. J.; Guberman-Pfeffer, M. J.; Arora, P.; Yongqing, T.; Koay, H.; Godfrey, D.; Keshipeddy, S.; Richardson, S. K.; Sundararaj, S.; Lo, J. H.; Wen, X.; Gascón, J. A.; Yuan, W.; Rossjohn, J.; Le Nours, J.; Porcelli, S. A.; Amy R Howell Cell Chem. Biol. (2018) 25, 1-14. [DOI]

  27. Light Harvesting by Equally Contributing Mechanisms in a Photosynthetic Antenna Protein
    Guberman-Pfeffer, M. J; Greco, J. A.; Birge, R. R.; Frank, H. A.; Gascón, J. A. J. Phys. Chem. Letters (2018) 82, 563-568. [DOI]

  28. Rationalizing complex reactivity en route to p-nitrophenyl septanosides
    Pote, A.; Vannam, R.; Richard, A.; Gascón, J. A. Eur. J. Org. Chem. (2018) 1709-1719. [DOI]

  29. The limited extend of the electronic modulation of chlorins and bacteriochlorins through chromene-annulation
    Yang, B.; Hewage, N.; Guberman-Pfeffer, M. J.; Wax, T.; Gascón, J. A.; Zhao, J.; Agrios, A. G.; Brückner, C Phys. Chem. Chem. Phys. (2018) 20, 18233-18240. [DOI]

  30. Bacteriochlorins with a Twist: Discovery of a Unique Mechanism to Red-Shift the Optical Spectra of Bacteriochlorins
    Guberman-Pfeffer, M. J.; Greco, J. A.; Samankumara, L. P.; Zeller, M.; Birge, R. R.; Gascón, J. A.; Brückner, C.: Bacteriochlorins with a Twist J. Am. Chem. Soc. (2017) 139, 548-560. [DOI]

  31. Preparation of Some Homologous TEMPO Nitroxides and Oxoammonium Salts; Notes on the NMR Spectroscopy of Nitroxide Free Radicals; Observed Radical Nature of Oxoammonium Salt Solutions Containing Trace Amounts of Corresponding Nitroxides in an Equilibrium Relationship
    Bobbitt, J. M.; Eddy, N. A.; Cady, C. X; Jin, J.; Gascon, J. A.; Gelpí-Dominguez, S.; Zakrzewski, J.; Morton, M. D. J. Org. Chem. (2017) 82, 9279-9290. [DOI]

  32. A Magnetic Look into the Protecting Layer of Au25 Clusters
    Agrachev, M.; Antonello, S.; Dainese, T.; Gascón, J. A.; Pan, F.; Rissanen, K.; Ruzzi, M.; Venzo, A.; Zoleo, A.; Maran, F. Chem. Sci. (2016) 7, 6910-6918. [DOI]

  33. Applications to Studies of Photosystem II and DNA G-Quadruplexes
    Askerka, M.; Ho, J.; Batista, E.; Gascón, J.; Batista, V. Methods Enzymol. (2016) 577, 443-481. [DOI]

  34. Chromene-Annulated Bacteriochlorins
    Hyland, M. A.; Hewage, N.; Panther, K.; Nimthong-Rolda_n, A.; Zeller, M.; Samaraweera, M.; Gascón, J. A.; Brückner, C. J. Org. Chem. (2016) 81, 3603-3618. [DOI]

  35. Fullerene-Assisted Photoinduced Charge Transfer of Single-Walled Carbon Nanotubes through a Flavin Helix
    Mollahosseini, M.; Karunaratne, E.; Gibson, G. N.; Gascón, J. A.; Papadimitrakopoulos, F. J. Am. Chem. Soc. (2016) 138, 5904-5915. [DOI]

  36. Vibrational Coupling Modulation in n-Alkanethiolate Protected Au25 (SR) 180 Clusters
    Varnholt, B.; Guberman-Pfeffer, M. J.; Oulevey, P.; Antonello, S.; Dainese, T.; Gascón, J. A.; Bürgi, T.; Maran, F. J. Phys. Chem. C (2016) 120, 25378-25386. [DOI]

  37. Cardiac Glycoside Activities Link Na+/K+ ATPase Ion-Transport to Breast Cancer Cell Migration via Correlative SAR
    Magpusao, A. N.; Omolloh, G.; Johnson, J.; Gascón, J.; Peczuh, M. W.; Fenteany, G. ACS Chem. Biol. (2015) 10, 561-569. [DOI]

  38. Connectivity-Based Biocompatible Force Field for Thiolated Gold Nanoclusters
    Guberman-Pfeffer, M. J.; Ulcickas, J.; Gascón, J. A. J. Phys. Chem. C (2015) 119, 27804-27812. [DOI]

  39. Atomistic prediction of sorption free energies of cationic aromatic amines on montmorillonite: a linear interaction energy method
    Samaraweera, M.; Jolin, W.; Vasudevan, D.; MacKay, A. A.; Gascón, J. A. Environ. Sci. Technol. Lett. (2014) 1, 284-289. [DOI]

  40. Au25(SEt)18, a Nearly Naked Thiolate-Protected Au25 Cluster: Structural Analysis by Single Crystal X-Ray Crystallography and Electron Nuclear Double Resonance
    Dainese, T.; Antonello, S.; Gascón, J. A.; Pan, F.; Perera, N. V.; Ruzzi, M.; Venzo, A.; Zoleo, A.; Rissanen, K.; Maran, F. ACS Nano (2014) 8, 3904-3912. [DOI]

  41. MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha Nova G-quadruplex
    Ho, J.; Newcomer, M. B.; Ragain, C. M.; Gascón, J. A.; Batista, E. R.; Loria, J. P.; Batista, V. S. J. Chem. Theor. Comput. (2014) 10, 5125-5135. [DOI]

  42. Removal of azo dyes: intercalation into sonochemically synthesized NiAl layered double hydroxide
    Pahalagedara, M. N.; Samaraweera, M.; Dharmarathna, S.; Kuo, C.-H.; Pahalagedara, L. R.; Gascón, J. A.; Suib, S. L. J. Phys. Chem. C (2014) 118, 17801-17809. [DOI]

  43. Thermodynamics of the Quasi-Epitaxial Flavin Assembly around Various-Chirality Carbon Nanotubes
    Sharifi, R.; Samaraweera, M.; Gascón, J. A.; Papadimitrakopoulos, F. J. Am. Chem. Soc. (2014) 136, 7452-7463. [DOI]

  44. Interaction of H2@C60 and Nitroxide through Conformationally Constrained Peptide Bridges
    Garbuio, L.; Li, Y.; Antonello, S.; Gascón, J. A.; Lawler, R. G.; Lei, X.; Murata, Y.; Turro, N. J.; Maran, F. Photochem. Photobio. (2013) 90, 439-447. [DOI]

  45. Interplay of Charge State, Lability, and Magnetism in the Molecule-like Au25(SR)18 cluster
    Antonello, S.; Perera, N. V.; Ruzzi, M.; Gascón, J. A.; Maran, F. J. Am. Chem. Soc. (2013) 135, 15585-15594. [DOI]

  46. Silicon Acceleration of a Tandem Alkene Isomerization/Electrocyclic Ring-opening of 2-Methyleneoxetanes to α, β-Unsaturated Methylketones
    Farber, E.; Rudnitskaya, A.; Keshipeddy, S.; Lao, K. S.; Gascón, J. A.; Howell, A. R. J. Org. Chem. (2013) 78, 11213-11220. [DOI]

  47. A QM/MM Approach for the Study of Monolayer-Protected Gold Clusters
    Banerjee, S.; Montgomery, J. A.; Gascón, J. A. J. Mater. Sci. (2012) 47, 7686-7692. [DOI]

  48. Handedness Enantioselection of Carbon Nanotubes Using Helical Assemblies of Flavin Mononucleotide
    Ju, S.-Y.; Abanulo, D. C.; Badalucco, C. A.; Gascón, J. A.; Papadimitrakopoulos, F. J. Am. Chem. Soc. (2012) 134, 13196-13199. [DOI]

  49. QM/MM Prediction of the Stark Shift in the Active Site of a Protein
    Sandberg, D. J.; Rudnitskaya, A. N.; Gascón, J. A. J. Chem. Theor. Comput. (2012) 8, 2817-2823. [DOI]

  50. Recognition and Reactivity in the Binding between Raf Kinase Inhibitor Protein and its Small-Molecule Inhibitor Locostatin
    Rudnitskaya, A. N.; Eddy, N. A.; Fenteany, G.; Gascón, J. A. J. Phys. Chem. B (2012) 116, 10176-10181. [DOI]

  51. Stability of N-Glycosidic Bond of (5′ S)-8, 5′-cyclo-2′-Deoxyguanosine
    Das, R. S.; Samaraweera, M.; Morton, M.; Gascón, J. A.; Basu, A. K. Chem. Res. Toxicol. (2012) 25, 2451-2461. [DOI]

  52. An Extrapolation Method for Computing Protein Solvation Energies Based on Density Fragmentation of a Graphical Surface Tessellation
    Menikarachchi, L. C.; Gascón, J. A. J. Mol. Graph. Model. (2011) 30, 38-45. [DOI]

  53. Computational and Experimental Investigations of Mono-Septanoside Binding by Concanavalin A: Correlation of Ligand Stereochemistry to Enthalpies of Binding
    Duff Jr, M. R.; Fyvie, W. S.; Markad, S. D.; Frankel, A. E.; Kumar, C. V.; Gascón, J. A.; Peczuh, M. W. Org. Biomol. Chem. (2011) 9, 154-164. [DOI]

  54. Effect of the Charge State (z = _1, 0,+ 1) on the Nuclear Magnetic Resonance of Monodisperse Au25[S(CH2)2Ph]18z clusters
    Venzo, A.; Antonello, S.; Gascón, J. A.; Guryanov, I.; Leapman, R. D.; Perera, N. V.; Sousa, A.; Zamuner, M.; Zanella, A.; Maran, F. Anal. Chem. (2011) 83, 6355-6362. [DOI]

  55. Locostatin Disrupts Association of Raf Kinase Inhibitor Protein with Binding Proteins by Modifying a Conserved Histidine Residue in the Ligand-Binding Pocket
    Beshir, A. B.; Argueta, C. E.; Menikarachchi, L. C.; Gascón, J. A.; Fenteany, G. Forum on immunopathological diseases and therapeutics (2011) Vol. 2. [DOI]

  56. Short_Circuiting Azobenzene Photoisomerization with Electron_Donating Substituents and Reactivating the Photochemistry with Chemical Modification
    Bandara, H.; Cawley, S.; Gascón, J. A.; Burdette, S. C. Eur. J. Org. Chem. (2011) 2011, 2916-2919. [DOI]

  57. Molecular Modeling Characterization of a Conformationally Constrained Monolayer-Protected Gold Cluster
    Perera, N. V.; Isley, W.; Maran, F.; Gascón, J. A. J. Phys. Chem. C (2010) 114, 16043-16050. [DOI]

  58. Proof for the Concerted Inversion Mechanism in the trans_ cis Isomerization of Azobenzene using Hydrogen Bonding to Induce Isomer Locking
    Bandara, H. D.; Friss, T. R.; Enriquez, M. M.; Isley, W.; Incarvito, C.; Frank, H. A.; Gascón, J.; Burdette, S. C. J. Org. Chem. (2010) 75, 4817-4827. [DOI]

  59. QM/MM Approaches in Medicinal Chemistry Research
    Menikarachchi, L. C.; Gascón, J. A. Curr. Top. Med. Chem. (2010) 10, 46-54. [DOI]

  60. Site-Preferential Dissociation of Peptides with Active Chemical Modification for Improving Fragment Ion Detection
    Diego, P. A. C.; Bajrami, B.; Jiang, H.; Shi, Y.; Gascón, J. A.; Yao, X. Anal. Chem. (2010) 82, 23-27. [DOI]

  61. Unexpected Cleavage of 2-azido-2-(hydroxymethyl) Oxetanes: Conformation Determines Reaction Pathway?
    Farber, E.; Herget, J.; Gascón, J. A.; Howell, A. J. Org. Chem. (2010) 75, 7565-7572. [DOI]

  62. The MoD-QM/MM Methodology for Structural Refinement of Photosystem II and other Biological Macromolecules
    Sproviero, E. M.; Newcomer, M. B.; Gascón, J. A.; Batista, E. R.; Brudvig, G. W.; Batista, V. S. Photosynth. Res. (2009) 102, 455-470. [DOI]

  63. A model of the Oxygen-Evolving Center of Photosystem II Predicted by Structural Refinement Based on EXAFS Simulations
    Sproviero, E. M.; Gascón, J. A.; McEvoy, J. P.; Brudvig, G. W.; Batista, V. S. J. Am. Chem. Soc. (2008) 130, 6728-6730.Ê [DOI]

  64. Computational Insights into the O2-Evolving Complex of Photosystem II
    Sproviero, E. M.; McEvoy, J. P.; Gascón, J. A.; Brudvig, G. W.; Batista, V. S. Photosynth. Res. (2008) 97, 91-114. [DOI]

  65. Computational Studies of the O2-Evolving Complex of Photosystem II and Biomimetic Oxomanganese Complexes
    Sproviero, E. M.; Gascón, J. A.; McEvoy, J. P.; Brudvig, G. W.; Batista, V. S. Coord. Chem. Rev. (2008) 252, 395-415. [DOI]

  66. Ligation of the C-terminus of the D1 Polypeptide of Photosystem II to the Oxygen Evolving Complex: A DFT-QM/MM Study
    Gascón, J. A.; Sproviero, E. M.; McEvoy, J. P.; Brudvig, G. W.; Batista, V. S. Photosynthesis. Energy from the Sun (2008) 363-368. [DOI]

  67. Optimization of Cutting Schemes for the Evaluation of Molecular Electrostatic Potentials in Proteins via Moving-Domain QM/MM
    Menikarachchi, L. C.; Gascón, J. A. J. Mol. Model. (2008) 14, 1-9. [DOI]

  68. QM/MM Computational Studies of Substrate Water Binding to the Oxygen-Evolving Centre of Photosystem II
    Sproviero, E. M.; Shinopoulos, K.; Gascón, J. A.; McEvoy, J. P.; Brudvig, G. W.; Batista, V. S. Philos. Trans. R. Soc. Lond., B, Biol. Sci. (2008) 363, 1149-1156. [DOI]

  69. QM/MM Investigation of Structure and Spectroscopic Properties of a Vanadium-Containing Peroxidase
    Zhang, Y.; Gascón, J. A. J. Inorg. Biochem. (2008) 102, 1684-1690. [DOI]

  70. Quantum Mechanics/Molecular Mechanics Study of the Catalytic cycle of Water Splitting in Photosystem II
    Sproviero, E. M.; Gascón, J. A.; McEvoy, J. P.; Brudvig, G. W.; Batista, V. S. J. Am. Chem. Soc. (2008) 130, 3428-3442. [DOI]

  71. Synthesis and Structure — Activity Relationships of Metal-Ligand Complexes that Potently Inhibit Cell Migration
    Beshir, A. B.; Guchhait, S. K.; Gascón, J. A.; Fenteany, G. Bioorg. Med. Chem. Lett. (2008) 18, 498-504. [DOI]

  72. Quantum Mechanics/Molecular Mechanics Structural Models of the Oxygen-Evolving Complex of Photosystem II
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  73. A Self-Consistent Space-Domain Decomposition Method for QM/MM Computations of Protein Electrostatic Potentials
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  74. Characterization of Synthetic Oxomanganese Complexes and the Inorganic Core of the O2-Evolving Complex in Photosystem II Evaluation of the DFT/B3LYP Level of Theory
    Sproviero, E. M.; Gascon, J. A.; McEvoy, J. P.; Brudvig, G. W.; Batista, V. S. J. Inorg. Biochem. (2006) 100, 786-800. [DOI]

  75. Computational Studies of the Primary Phototransduction Event in Visual Rhodopsin
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  76. QM/MM Models of the O2-Evolving Complex of Photosystem II
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  77. Computational Structural Model of the Oxygen Evolving Complex in Photosystem II: Complete Ligation by Protein, Water and Chloride
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  78. QM/MM study of the NMR spectroscopy of the retinyl chromophore in visual rhodopsin
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  79. Surface Effects on the Statistics of the Local Density of States in Metallic Nanoparticles: Manifestation on the NMR Spectra
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  80. The mechanism of photosynthetic water splitting
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  81. QM/MM Study of Energy Storage and Molecular Rearrangements due to the Primary Event in Vision
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  82. Structure of XeN+ Clusters (N= 3Ð30): Simulation and Experiment
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  83. Absorption Spectra and Geometries of ArN+(N= 30_ 60)
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  84. Photoabsorption Spectra of Argon Cation Clusters: Monte Carlo Simulations Using Many-Body Polarization
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