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    issn = "1520-6106",
    doi = "10.1021/acs.jpcb.2c05795",
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    id = "record",
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    doi = "10.1177/10943420221128233",
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    id = "record",
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    doi = "10.1021/acs.jctc.2c00396",
    volume = "18"
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    title = "Phosphine-Phenoxide Nickel Catalysts for Ethylene/Acrylate Copolymerization: Olefin Coordination and Complex Isomerization Studies Relevant to the Mechanism of Catalysis",
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    title = "Informing geometric deep learning with electronic interactions to accelerate quantum chemistry",
    journal = "Proceedings of the National Academy of Sciences",
    year = "2022",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210831-203900979",
    id = "record",
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    volume = "119",
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    url = "https://resolver.caltech.edu/CaltechAUTHORS:20220707-204130247",
    id = "record",
    doi = "10.22002/D1.1177"
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    title = "Fast Near Ab Initio Potential Energy Surfaces Using Machine Learning",
    journal = "Journal of Physical Chemistry A",
    year = "2022",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20220721-8916000",
    id = "record",
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    doi = "10.1021/acs.jpca.2c02243",
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    id = "record",
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    title = "Equilibrium–nonequilibrium ring-polymer molecular dynamics for nonlinear spectroscopy",
    journal = "Journal of Chemical Physics",
    year = "2022",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20220223-214612882",
    id = "record",
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    doi = "10.1063/5.0087156",
    volume = "156"
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    year = "2022",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20220714-215129425",
    id = "record"
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    title = "Coordination of -1 programmed ribosomal frameshifting by transcript and nascent chain features revealed by deep mutational scanning",
    journal = "Nucleic Acids Research",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210312-124533397",
    id = "record",
    issn = "0305-1048",
    doi = "10.1093/nar/gkab1172",
    volume = "49",
    pmcid = "PMC8682741"
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    title = "Experimental and theoretical determinations of hydrogen isotopic equilibrium in the system CH₄-H₂-H₂O from 3 to 200°C",
    journal = "Geochimica et Cosmochimica Acta",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210507-093059787",
    id = "record",
    issn = "0016-7037",
    doi = "10.1016/j.gca.2021.04.026",
    volume = "314"
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    title = "OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy",
    journal = "Journal of Chemical Physics",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210831-203931813",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0061990",
    volume = "155"
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20220208-947187000",
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    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210929-230209364",
    id = "record",
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    title = "Li⁺ and Oxidant Addition To Control Ionic and Electronic Conduction in Ionic Liquid-Functionalized Conjugated Polymers",
    journal = "Chemistry of Materials",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210830-230029193",
    id = "record",
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    volume = "33"
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    title = "Stern and Diffuse Layer Interactions during Ionic Strength Cycling",
    journal = "Journal of Physical Chemistry C",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210830-230029026",
    id = "record",
    issn = "1932-7447",
    doi = "10.1021/acs.jpcc.1c04836",
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    title = "Electronic Structure of Superoxidized Radical Cationic Dodecaborate-Based Clusters",
    journal = "Journal of Physical Chemistry A",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210721-172302557",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/acs.jpca.1c03927",
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    title = "A New Imaginary Term in the Second-Order Nonlinear Susceptibility from Charged Interfaces",
    journal = "Journal of Physical Chemistry Letters",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210412-101224507",
    id = "record",
    issn = "1948-7185",
    doi = "10.1021/acs.jpclett.1c01103",
    volume = "12"
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    title = "Force transduction creates long-ranged coupling in ribosomes stalled by arrest peptides",
    journal = "Biophysical Journal",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201021-082852041",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2021.03.041",
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    title = "Efficient Copolymerization of Acrylate and Ethylene with Neutral P, O-Chelated Nickel Catalysts: Mechanistic Investigations of Monomer Insertion and Chelate Formation",
    journal = "Journal of the American Chemical Society",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210430-120931834",
    id = "record",
    issn = "0002-7863",
    doi = "10.1021/jacs.1c00566",
    volume = "143"
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    title = "Machine Learning Solvation Environments in Conductive Polymers: Application to ProDOT-2Hex with Solvent Swelling",
    journal = "Macromolecules",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200914-111809398",
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    volume = "54"
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    title = "Analytical gradients for molecular-orbital-based machine learning",
    journal = "Journal of Chemical Physics",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210119-161656738",
    id = "record",
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    doi = "10.1063/5.0040782",
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    title = "Interfacial Electron Transfer and Ion Solvation in the Solid Electrolyte Interphase",
    journal = "Journal of Physical Chemistry C",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210119-101412986",
    id = "record",
    issn = "1932-7447",
    doi = "10.1021/acs.jpcc.0c11194",
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    title = "Small Nuclear Quantum Effects in Scattering of H and D from Graphene",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210218-150439555",
    id = "record",
    issn = "1948-7185",
    doi = "10.1021/acs.jpclett.0c02933",
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    journal = "Journal of Chemical Physics",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201110-142606934",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200929-122616290",
    id = "record",
    issn = "2050-084X",
    doi = "10.7554/eLife.64302",
    volume = "10"
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    title = "A generalized class of strongly stable and dimension-free T-RPMD integrators",
    journal = "Journal of Chemical Physics",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201203-151032238",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0036954",
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    id = "record",
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    journal = "Chemistry of Materials",
    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201021-121820625",
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    volume = "32"
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    title = "The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry",
    journal = "Journal of Physical Chemistry A",
    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201105-152206567",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/acs.jpca.0c09205",
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    title = "The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry",
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    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201105-152206460",
    id = "record",
    issn = "1520-6106",
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    title = "The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry",
    journal = "Journal of Physical Chemistry C",
    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201105-152206366",
    id = "record",
    issn = "1932-7447",
    doi = "10.1021/acs.jpcc.0c09208",
    volume = "124"
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    title = "Sum-Frequency Signals in 2D-Terahertz-Terahertz-Raman Spectroscopy",
    journal = "Journal of Physical Chemistry B",
    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200909-152203413",
    id = "record",
    issn = "1520-6106",
    doi = "10.1021/acs.jpcb.0c07935",
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    title = "OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features",
    journal = "Journal of Chemical Physics",
    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200818-095759329",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0021955",
    volume = "153"
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    title = "Electronically Modified Cobalt Aminopyridine Complexes Reveal an Orthogonal Axis for Catalytic Optimization for CO₂ Reduction",
    journal = "Inorganic Chemistry",
    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200901-095615539",
    id = "record",
    issn = "0020-1669",
    doi = "10.1021/acs.inorgchem.0c02086",
    volume = "59"
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    title = "A Super-Oxidized Radical Cationic Icosahedral Boron Cluster",
    journal = "Journal of the American Chemical Society",
    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200713-085326752",
    id = "record",
    issn = "0002-7863",
    doi = "10.1021/jacs.0c06159",
    volume = "142"
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    id = "record",
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    doi = "10.1021/acs.jctc.0c00169",
    volume = "16"
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    title = "Cotranslational Folding Stimulates Programmed Ribosomal Frameshifting in the Alphavirus Structural Polyprotein",
    journal = "Journal of Biological Chemistry",
    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191003-111416580",
    id = "record",
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    title = "Molpro quantum chemistry package",
    journal = "Journal of Chemical Physics",
    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200413-101102938",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0005081",
    volume = "152"
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    year = "2020",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200303-084230635",
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    volume = "152"
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    doi = "10.1021/jacs.9b07820",
    volume = "142"
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    journal = "Journal of Chemical Physics",
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    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191216-155842954",
    id = "record",
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    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200110-151818156",
    id = "record",
    doi = "10.26434/chemrxiv.7762646.v2"
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    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191029-105305218",
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    volume = "3"
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    id = "record",
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    volume = "15"
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    doi = "10.1021/acs.jpca.9b05165",
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    id = "record"
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    id = "record",
    issn = "2041-1723",
    doi = "10.1038/s41467-019-10342-6",
    volume = "10",
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    id = "record",
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    title = "Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids",
    journal = "Journal of Chemical Physics",
    year = "2010",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20100216-110544016",
    id = "record",
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    doi = "10.1063/1.3292576",
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    title = "Isomorphic classical molecular dynamics model for an excess electron in a supercritical fluid",
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    doi = "10.1063/1.3013357",
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    title = "Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain",
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    pmcid = "PMC1955457"
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    title = "Sampling diffusive transition paths",
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    id = "record",
    issn = "0021-9606",
    doi = "10.1103/10.1063/1.2712444",
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    title = "Quantum diffusion in liquid water from ring polymer molecular dynamics",
    journal = "Journal of Chemical Physics",
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    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05b",
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    doi = "10.1063/1.2074967",
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    title = "Collision-induced conformational changes in glycine",
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    year = "2005",
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    doi = "10.1063/1.1927527",
    volume = "122"
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    title = "Torsional anharmonicity in the conformational thermodynamics of flexible molecules",
    journal = "Molecular Physics",
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    id = "record",
    issn = "0026-8976",
    doi = "10.1080/00268970500096145",
    volume = "103"
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@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05d,
    title = "Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics",
    journal = "Journal of Chemical Physics",
    year = "2005",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05d",
    id = "record",
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    doi = "10.1063/1.1893956",
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    title = {Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)]},
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    year = "2005",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05a",
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    title = "Quantum free energies of the conformers of glycine on an ab initio potential energy surface",
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    id = "record",
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    title = "Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method",
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    year = "2004",
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    doi = "10.1063/1.1641019",
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    title = "Torsional path integral Monte Carlo method for calculating the absolute quantum free energy of large molecules",
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    title = "Symplectic quaternion scheme for biophysical molecular dynamics",
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    id = "record",
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    title = "Torsional path integral Monte Carlo method for the quantum simulation of large molecules",
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    id = "record",
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    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.1349090",
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    id = "record",
    issn = "0002-7863",
    doi = "10.1021/ja990854n",
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    title = "Linear Semibridging Carbonyls. 6. Structure and Bonding in the Dimers of 17-Electron Tantalum Hexacarbonyl and Tetracarbonyl Diphosphine",
    journal = "Organometallics",
    year = "1998",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130301-153738878",
    id = "record",
    issn = "0276-7333",
    doi = "10.1021/om980144a",
    volume = "17"
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    title = "Structure and Stability of Palladium−Carbon Cations",
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    id = "record",
    issn = "1089-5639",
    doi = "10.1021/jp980640c",
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