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    authors = "Goddard, William A., III",
    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Ab Initio Pseudopotentials (Extending Ab Initio QM Throughout the Periodic Table)",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210126-151500519",
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    authors = "Choi, Kyung Min and Jeong, Hyung Mo and Kim, Hyungjun and Goddard, William A., III and Kang, Jeung Ku",
    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Atomic and Molecular Unit Energy Conversion Catalysis of Carbon Dioxides in Value-Added Chemical Fuels",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-081958170",
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@inbook{https://authors.library.caltech.edu/records/cqa5p-wk969,
    authors = "Goddard, William A., III",
    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Batteries",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210126-154635775",
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@inbook{https://authors.library.caltech.edu/records/ksk5c-2er92,
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Ceramics–Boron Carbide-Ferroelectrics",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-075939203",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Charges and Polarization Without QM",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-070440795",
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    authors = "Goddard, William A., III",
    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Classical Force Fields and Methods of Molecular Dynamics",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-073005665",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "DNA-RNA",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210126-155318866",
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    authors = "Anz, Samir J. and Margolese, David I. and Sando, Stewart F. and Gillis, H. P. and Goddard, William A., III",
    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Damage-Free Atomic-Scale Etching and Surface Enhancements by Electron-Enhanced Reactions: Results and Simulations",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-090228375",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Electrocatalytic CO₂ Reduction",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-071711357",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Electrocatalytic Water Splitting (H₂O → H₂+½ O₂)",
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    year = "2021",
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    chapter = "Electron Dynamics and Electron Transfer",
    address = "Cham",
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    year = "2021",
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    chapter = "Energetic Materials",
    address = "Cham",
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    year = "2021",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Extracting Reaction Kinetics for Complex Reaction Systems",
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    year = "2021",
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    chapter = "Force Fields for Reactive Dynamics (ReaxFF, RexPoN)",
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    year = "2021",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Free Energy and Entropy from MD",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-070905792",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Fuel Cells Electrocatalysis with QM and FF",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-081738476",
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    authors = "Goddard, William A., III",
    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "GPCR and Other Proteins: Predictions of Structures and Ligand Binding",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-072017019",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "GVB Interpretations of Bonding and Reactions",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-072705338",
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    chapter = "MOFs, COFs, and ZIFs Plus H₂ and CH₄ Storage",
    address = "Cham",
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    year = "2021",
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    chapter = "Mechanically Bonded Materials (Stoddart)",
    address = "Cham",
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    year = "2021",
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    chapter = "Mechanisms for Heterogeneous Catalysis",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-075051440",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Mechanisms for Homogeneous Catalysis",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-081452702",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Metals",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-074125628",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Methods for GVB and Extended Wavefunctions and for DFT",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-080636206",
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    chapter = "Nanotechnology",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-080315832",
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    chapter = "Polymers: Dendrimers-Network-Electrolye-NLO",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-075716768",
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    authors = "Shevade, Abhijit V. and Homer, Margie L. and Goddard, William A., III",
    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Rapid Screening of Chemical Sensing Materials Using Molecular Modeling Tools for the JPL Electronic Nose",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-085458420",
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    chapter = "Solar Cells",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-071120234",
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Solvation Methods and Applications",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-070638993",
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    chapter = "Structural Variation and Odorant Binding for Olfactory Receptors Selected from the Six Major Subclasses of the OR Phylogenetic Tree",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-083243229",
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    chapter = "Superconductors: Cuprate High Tc and BEDT-TTF Organic Superconductors",
    address = "Cham",
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    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-074759197",
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    chapter = "Surface Science",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-073542895",
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@inbook{https://authors.library.caltech.edu/records/pa61t-yfn34,
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    title = "Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile",
    chapter = "Thermoelectrics",
    address = "Cham",
    publisher = "Springer International Publishing",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210127-071348153",
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@inbook{https://authors.library.caltech.edu/records/3bvdt-yg446,
    authors = "Shen, Yidi and An, Qi and Yang, Xiaokun and Goddard, William A., III",
    title = "21st Century Nanoscience – A Handbook: Industrial Applications",
    chapter = "Nanotwinning and Directed Alloying to Enhance the Strength and Ductility of Superhard Materials",
    address = "Boca Raton",
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    year = "2020",
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    publisher = "IEEE",
    year = "2018",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190423-124212621",
    id = "https://authors.library.caltech.edu/records/n6kp2-f5993",
    isbn = "978-1-7281-0176-7",
    doi = "10.1109/ScalA.2018.00009",
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    authors = "Yu, Ted H. and Merinov, Boris V. and Goddard, William A., III",
    title = "The Chemistry of Membranes Used in Fuel Cells: Degradation and Stabilization",
    chapter = "Quantum Mechanical Calculations of the Degradation in Perfluorinated Membranes Used in Fuel Cells",
    address = "Hoboken, NJ",
    publisher = "John Wiley \& Sons, Inc.",
    year = "2018",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210605-224527637",
    id = "https://authors.library.caltech.edu/records/6ekav-th278",
    isbn = "9781119196051",
    doi = "10.1002/9781119196082.ch10",
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    authors = "Dong, Sijia S. and Goddard, William A., III and Abrol, Ravinder",
    title = "G Protein-Coupled Receptors Part A",
    chapter = "Identifying multiple active conformations in the G protein-coupled receptor activation landscape using computational methods",
    address = "Cambridge, MA",
    publisher = "Academic Press",
    year = "2017",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20171009-101552794",
    id = "https://authors.library.caltech.edu/records/7e1bq-f4s14",
    isbn = "9780128133194",
    doi = "10.1016/bs.mcb.2017.07.009",
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    authors = "Kelber, Jeffry and Jones, Jessica and Beauclair, Brock and Olanipekun, Opeyemi and Lightbourne, Sherard and Zhang, Mofei and Pollok, Brittany and Beatty, John and Driver, M. Sky and Cheng, Tao and Liu, Yuanyue and Goddard, William A., III",
    title = "2016 13th IEEE International Conference on Solid-State and Integrated Circuit Technology (ICSICT)",
    chapter = "Direct growth of graphene on dielectric substrates: Epitaxy at incommensurate and reactive interfaces",
    address = "Piscataway, NJ",
    publisher = "IEEE",
    year = "2016",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170809-152211038",
    id = "https://authors.library.caltech.edu/records/ppj5s-yf795",
    isbn = "978-1-4673-9719-3",
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    authors = "Kim, Soo-Kyung and Goddard III, William A.",
    chapter = "Molecular-Docking-Based Drug Design and Discovery: Rational Drug Design for the Subtype Selective GPCR Ligands",
    publisher = "Medical Information Science Reference",
    year = "2016",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170130-142028601",
    id = "https://authors.library.caltech.edu/records/rrpmn-5xr22",
    doi = "10.4018/978-1-5225-0362-0.ch006"
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    authors = "Kanady, Jacob S. and Mendoza-Cortés, José L. and Goddard, William A., III and Agapie, Theodor",
    title = "Metalloproteins: Theory, Calculations, and Experiments",
    chapter = "Oxygen-Evolving Complex of Photosystem II: Insights from Computation and Synthetic Models",
    address = "Boca Raton, FL",
    publisher = "CRC Press",
    year = "2015",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160816-082206716",
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    isbn = "9781439813188",
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@inbook{https://authors.library.caltech.edu/records/49jmj-gxz22,
    authors = "Aryanfar, Asghar and Cheng, Tao and Merinov, Boris V. and Goddard, William A., III and Colussi, Agustín J. and Hoffmann, Michael R.",
    chapter = "Lithium Dendrite Inhibition on Post-Charge Anode Surface: The Kinetics Role",
    publisher = "Materials Research Society",
    year = "2015",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20151016-151554765",
    id = "https://authors.library.caltech.edu/records/49jmj-gxz22",
    doi = "10.1557/opl.2015.745"
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@inbook{https://authors.library.caltech.edu/records/ch51v-x5z54,
    authors = "van Duin, Adri C. T. and Zou, Chenyu and Joshi, Kaushik and Bryantsev, Vyascheslav and Goddard, William A.",
    title = "Computational Catalysis",
    chapter = "A ReaxFF Reactive Force-field for Proton Transfer Reactions in Bulk Water and its Applications to Heterogeneous Catalysis",
    address = "Cambridge",
    publisher = "Royal Society of Chemistry",
    year = "2013",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20151119-123721297",
    id = "https://authors.library.caltech.edu/records/ch51v-x5z54",
    isbn = "978-1-84973-451-6",
    doi = "10.1039/9781849734905-00223",
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    authors = "Abrol, Ravinder and Kim, Soo-Kyung and Bray, Jenelle K. and Trzaskowski, Bartosz and Goddard, William A., III",
    title = "G Protein Coupled Receptors — Structure",
    chapter = "Conformational Ensemble View of G Protein-Coupled Receptors and the Effect of Mutations and Ligand Binding",
    address = "Oxford",
    publisher = "Academic Press",
    year = "2013",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130128-104922610",
    id = "https://authors.library.caltech.edu/records/rkpra-2q209",
    isbn = "9780123918611",
    doi = "10.1016/B978-0-12-391861-1.00002-2",
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@inbook{https://authors.library.caltech.edu/records/9t402-rrg55,
    authors = "Han, Si-ping and Goddard, William A., III",
    title = "Handbook of Nanoscience, Engineering, and Technology",
    chapter = "DNA-directed assembly of multicomponent single-walled carbon nanotube devices",
    address = "Boca Raton, FL",
    publisher = "CRC Press",
    year = "2012",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130416-080407462",
    id = "https://authors.library.caltech.edu/records/9t402-rrg55",
    isbn = "9781439860168",
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    authors = "Jaramillo-Botero, Andres and Tahir-Kheli, Jamil and von Allmen, Paul and Goddard, William A., III",
    title = "Handbook of Nanoscience, Engineering and Technology",
    chapter = "Multiscale, multiparadigm modeling for nano systems characterization and design",
    publisher = "CRC Press",
    year = "2012",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20120516-140721126",
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    authors = "An, Q. and Ravelo, R. and Germann, T. C. and Han, W. Z. and Luo, S. N. and Tonks, D. L. and Goddard, William A., III",
    title = "2011 Shock Compression of Condensed Matter",
    chapter = "Shock compression and spallation of single crystal tantalum",
    address = "Melville, NY",
    publisher = "American Institute of Physics",
    year = "2012",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20120409-072731815",
    id = "https://authors.library.caltech.edu/records/3hgkr-5z822",
    isbn = "978-0-7354-1006-0",
    doi = "10.1063/1.3686509",
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    authors = "Abrol, Ravinder and Griffith, Adam R. and Bray, Jenelle K. and Goddard, William A., III",
    title = "Membrane Protein Structure and Dynamics: Methods and Protocols",
    chapter = "Structure Prediction of G Protein-Coupled Receptors and Their Ensemble of Functionally Important Conformations",
    address = "New York",
    publisher = "Springer",
    year = "2012",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20120924-135021664",
    id = "https://authors.library.caltech.edu/records/7cwwm-y5462",
    isbn = "978-1-62703-022-9",
    doi = "10.1007/978-1-62703-023-6\_14",
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@inbook{https://authors.library.caltech.edu/records/6shmc-g9672,
    authors = "Abrol, Ravinder and Goddard, William A., III",
    title = "Extracellular and Intracellular Signaling",
    chapter = {G Protein-Coupled Receptors: Conformational "Gatekeepers" of Transmembrane Signal Transduction and Diversification},
    address = "Cambridge",
    publisher = "Royal Society of Chemistry",
    year = "2011",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160801-124351119",
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    isbn = "978-1-84973-160-7",
    doi = "10.1039/9781849733434-00188",
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    authors = "Jaramillo-Botero, Andres and Nielsen, Robert and Abrol, Ravi and Su, Julius and Pascal, Tod and Mueller, Jonathan E. and Goddard, William A., III",
    title = "Multiscale Molecular Methods in Applied Chemistry",
    chapter = "First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes",
    address = "Berlin",
    publisher = "Springer",
    year = "2011",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20111031-095200294",
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    isbn = "9783642249679",
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    authors = "Ojwang', J. G. O. and van Santen, Rutger and Kramer, Gert Jan and van Duin, Adri C. T. and Goddard, William A., III",
    title = "Special Presentations at the International Conference on Numerical Analysis and Applied Mathematics 2007 (ICNAAM-2007), held in Corfu, Greece, 16–20 September 2007 and of the International Conference on Computational Methods in Sciences and Engineering",
    chapter = "Modeling of Hydrogen Storage Materials: A Reactive Force Field for NaH",
    address = "Melville, NY",
    publisher = "American Institute of Physics",
    year = "2008",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:OJWaipcp08",
    id = "https://authors.library.caltech.edu/records/gh5h9-p1n86",
    isbn = "978-0-7354-0574-5",
    doi = "10.1063/1.2997304",
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@inbook{https://authors.library.caltech.edu/records/ymjas-d8616,
    authors = "Tang, Harvey and Rye, Janet and Buehler, Markus J. and van Duin, Adri and Goddard, William A., III",
    title = "Amorphous and Polycrystalline Thin-Film Silicon Science and Technology",
    chapter = "Quantization of Crack Speeds in Dynamic Fracture of Silicon: Multiparadigm ReaxFF Modeling",
    publisher = "Materials Research Society",
    year = "2007",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20101101-080015365",
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    isbn = "978-1-55899-866-7",
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    authors = "Persson, P. and Lundqvist, M. J. and Nilsing, M. and van Duin, A. C. T. and Goddard, W. A., III",
    title = "Physical Chemistry of Interfaces and Nanomaterials V",
    chapter = "Quantum-chemical calculations of dye-sensitized semiconductor nanocrystals",
    address = "Bellingham, WA",
    publisher = "Society of Photo-optical Instrumentation Engineers (SPIE)",
    year = "2006",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20181109-124602900",
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    isbn = "9780819464040",
    doi = "10.1117/12.681717",
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    authors = "Oleynik, I. I. and Conroy, M. and Zybin, S. V. and Zhang, L. and van Duin, A. C. T. and Goddard, W. A., III and White, C. T.",
    title = "Shock compression of condensed matter--2005 : proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter held at Baltimore, MD 31 July-5 August, 2005",
    chapter = "Energetic Materials at High Compression: First-Principles Density Functional Theory and Reactive Force Field Studies",
    address = "Melville, NY",
    publisher = "American Institute of Physics",
    year = "2006",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:OLEaipcp06a",
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    isbn = "0-7354-0341-4",
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@inbook{https://authors.library.caltech.edu/records/eetq5-9cg20,
    authors = "van Duin, Adri C. T. and Zybin, Sergey V. and Chenoweth, Kimberley and Zhang, Luzheng and Han, Si-Ping and Strachan, Alejandro and Goddard, William A., III",
    title = "Shock compression of condensed matter--2005 : proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter held at Baltimore, MD 31 July-5 August, 2005",
    chapter = "Reactive Force Fields Based on Quantum Mechanics for Applications to Materials at Extreme Conditions",
    address = "Melville, NY",
    publisher = "American Institute of Physics",
    year = "2006",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:DUIaipcp06",
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    authors = "Zhang, L. and Zybin, S. V. and van Duin, A. C. T. and Dasgupta, S. and Goddard, W. A., III",
    title = "Shock compression of condensed matter--2005 : proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter : held in Baltimore, Maryland, 31 July-5 August 2005",
    chapter = "Shock Induced Decomposition and Sensitivity of Energetic Materials by ReaxFF Molecular Dynamics",
    address = "Melville, NY",
    publisher = "American Institute of Physics",
    year = "2006",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:ZHAaipcp06b",
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    isbn = "0-7354-0341-4",
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    authors = "Zhang, Luzheng and Zybin, Sergey V. and van Duin, Adri C. T. and Dasgupta, Siddharth and Goddard, William A., III",
    title = "Shock compression of condensed matter--2005 : proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter : held in Baltimore, Maryland, 31 July-5 August 2005",
    chapter = "Thermal Decomposition of Energetic Materials by ReaxFF Reactive Molecular Dynamics",
    address = "Melville, NY",
    publisher = "American Institute of Physics",
    year = "2006",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:ZHAaipcp06a",
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    authors = "Molinero, Valeria and Goddard, William A.",
    title = "NMR Spectroscopy and Computer Modeling of Carbohydrates",
    chapter = "Molecular Modeling of Carbohydrates with No Charges, No Hydrogen Bonds, and No Atoms",
    address = "Washington, DC",
    publisher = "American Chemical Society",
    year = "2006",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20161206-100436817",
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    isbn = "9780841239531",
    doi = "10.1021/bk-2006-0930.ch015",
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    authors = "Molinero, Valeria and Goddard, William A., III",
    title = "Water Properties of Food, Pharmaceutical, and Biological Materials",
    chapter = "How does water diffuse in glasses of carbohydrates?",
    address = "Boca Raton, FL",
    publisher = "Taylor and Francis Group, LLC",
    year = "2006",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20110810-095550953",
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    isbn = "978-0-8493-2993-7",
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@inbook{https://authors.library.caltech.edu/records/ymzgd-9e495,
    authors = "Goddard, William A., III",
    title = "Handbook of Materials Modeling",
    chapter = "A Perspective of Materials Modeling",
    address = "Dordrecht",
    publisher = "Springer",
    year = "2005",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191015-103831302",
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    isbn = "978-1-4020-3287-5",
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@inbook{https://authors.library.caltech.edu/records/bcaqm-sr338,
    authors = "Strachan, Alejandro and van Duin, Adri C. T. and Goddard, William A., III",
    title = "SHOCK COMPRESSION OF CONDENSED MATTER - 2003: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter,  Portland, Oregon, 20-25 July 2003",
    chapter = "Initial Chemical Events in the Energetic Material RDX under Shock Loading: Role of Defects",
    address = "Melville, NY",
    publisher = "American Institute of Physics",
    year = "2004",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:STRAaipcp04",
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    doi = "10.1063/1.1780381",
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    authors = "Meulbroek, Peter and Cathles, Larry and Goddard, William A.",
    chapter = "HCToolkit/EOS interface: an open source, multi-platform phase equilibria framework for exploring phase behaviour of complex mixtures",
    publisher = "Geological Society",
    year = "2004",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180717-084923561",
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    doi = "10.1144/GSL.SP.2004.237.01.06"
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@inbook{https://authors.library.caltech.edu/records/e9cbm-hrg76,
    authors = "Heifets, E. and Eglitis, R. I. and Kotomin, E. A. and Goddard, W. A., III and Borstel, G.",
    title = "Fundamental Physics of Ferroelectrics 2003",
    chapter = "Calculations of Perovskite Polar Surface Structures",
    address = "Melville, NY",
    publisher = "American Institute of Physics",
    year = "2003",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:HEIaipcp03",
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    isbn = "0-7354-0146-2",
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@inbook{https://authors.library.caltech.edu/records/620xv-s7b62,
    authors = "Goddard, William A., III and Zhang, Qingsong and Uludoğan, Mustafa and Strachan, Alejandro and Çağin, Tahir",
    title = "Fundamental physics of ferroelectrics 2002",
    chapter = "The ReaxFF polarizable reactive force fields for molecular dynamics simulation of ferroelectrics",
    address = "Melville, N.Y.",
    publisher = "American Institute of Physics",
    year = "2002",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20111026-130045474",
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    isbn = "0-7354-0079-2",
    doi = "10.1063/1.1499551",
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@inbook{https://authors.library.caltech.edu/records/83tm3-5nt29,
    authors = "Zhou, Yanhua and Çağin, Tahir and Yamaguchi, Elaine S. and Ho, Andrew and Frazier, Rawls and Tang, Yongchun and Goddard, William A., III",
    title = "Solid-Liquid Interface Theory",
    chapter = "Structural and Dynamic Properties of Hexadecane Lubricants under Shear Flow in a Confined Geometry",
    address = "Washington, DC",
    publisher = "American Chemical Society",
    year = "2001",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20161130-155623074",
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    isbn = "9780841237179",
    doi = "10.1021/bk-2001-0789.ch012",
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@inbook{https://authors.library.caltech.edu/records/hrq66-vcq26,
    authors = "Vaidehi, Nagarajan and Goddard, William A., III",
    title = "Computational Modeling of Genetic and Biochemical Networks",
    chapter = "Atomic-Level Simulation and Modeling of Biomacromolecules",
    address = "Cambridge, MA",
    publisher = "MIT Press",
    year = "2001",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190627-122009397",
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@inbook{https://authors.library.caltech.edu/records/15fex-ewb28,
    authors = "Perry, J. W. and Marder, S. R. and Meyers, F. and Lu, D. and Chen, G. and Goddard, W. A., III and Brédas, J. L. and Pierce, B. M.",
    title = "Polymers for Second-Order Nonlinear Optics",
    chapter = "Hyperpolarizabilities of Push—Pull Polyenes Molecular Orbital and Valence-Bond Charge-Transfer Models",
    address = "Washington, DC",
    publisher = "American Chemical Society",
    year = "1995",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180406-080326593",
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    isbn = "9780841232631",
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@inbook{https://authors.library.caltech.edu/records/cvpr8-hxn15,
    authors = "Bierwagen, Erik P. and Coley, Terry R. and Goddard, William A., III",
    title = "Parallel Computing in Computational Chemistry",
    chapter = "Parallel Calculation of Electron-Transfer and Resonance Matrix Elements of Hartree-Fock and Generalized Valence Bond Wave Functions",
    address = "Washington, DC",
    publisher = "American Chemical Society",
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    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180406-080326206",
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    isbn = "9780841231665",
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@inbook{https://authors.library.caltech.edu/records/spm6e-9yv41,
    authors = "Goddard, William A., III and Lu, Daqi and Chen, Guanhua and Perry, Joe W.",
    title = "Computer-Aided Molecular Design",
    chapter = "Valence Bond Charge Transfer Theory for Predicting Nonlinear Optical Properties of Organic Materials",
    address = "Washington, DC",
    publisher = "American Chemical Society",
    year = "1995",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180405-153634422",
    id = "https://authors.library.caltech.edu/records/spm6e-9yv41",
    isbn = "9780841231603",
    doi = "10.1021/bk-1995-0589.ch025",
    pages = "341-358"
}


@inbook{https://authors.library.caltech.edu/records/4qhnj-qh954,
    authors = "Naylor, Adel M. and Goddard, William A., III",
    title = "Biocatalysis and Biomimetics",
    chapter = "Application of Simulation and Theory to Biocatalysis and Biomimetics",
    address = "Washington, DC",
    publisher = "American Chemical Society",
    year = "1989",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180405-085513310",
    id = "https://authors.library.caltech.edu/records/4qhnj-qh954",
    isbn = "9780841216112",
    doi = "10.1021/bk-1989-0392.ch006",
    pages = "65-87"
}


@inbook{https://authors.library.caltech.edu/records/910wh-mzr48,
    authors = "Allison, Janet N. and Goddard, William A., III",
    title = "Solid State Chemistry in Catalysis",
    chapter = "Active Sites on Molybdate Surfaces, Mechanistic Considerations for Selective Oxidation, and Ammoxidation of Propene",
    address = "Washington, DC",
    publisher = "American Chemical Society",
    year = "1985",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180404-153846163",
    id = "https://authors.library.caltech.edu/records/910wh-mzr48",
    isbn = "9780841209152",
    doi = "10.1021/bk-1985-0279.ch002",
    pages = "23-36"
}


@inbook{https://authors.library.caltech.edu/records/vv62h-zr541,
    authors = "Goddard, William A., III and Harding, Lawrence B.",
    title = "Biochemical and Clinical Aspects of Oxygen",
    chapter = "Singlet molecular oxygen chemistry and implications for flavin-cofactor hydroxylations",
    address = "New York",
    publisher = "Academic Press",
    year = "1979",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20230607-256279000.5",
    id = "https://authors.library.caltech.edu/records/vv62h-zr541",
    isbn = "978-0-12-164380-5",
    doi = "10.1016/b978-0-12-164380-5.50035-9",
    pages = "513-555"
}


@inbook{https://authors.library.caltech.edu/records/247em-fdk07,
    authors = "Goddard, William A., III and Olafson, Barry D.",
    title = "Biochemical and Clinical Aspects of Oxygen",
    chapter = "Theoretical Studies of the Bonding of O₂ to Hemoglobin; Implications for Cooperativity",
    address = "New York",
    publisher = "Academic Press",
    year = "1979",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20230728-234737362",
    id = "https://authors.library.caltech.edu/records/247em-fdk07",
    isbn = "978-0-12-164380-5",
    doi = "10.1016/B978-0-121-64380-5.X5001-4",
    pages = "87-123"
}


@inbook{https://authors.library.caltech.edu/records/bzp1v-z2h04,
    authors = "Goddard, William A., III and O'Keefe, Patricia M.",
    chapter = "The Use of the GI Method in Band Calculations on Solids",
    publisher = "Springer US",
    year = "1971",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180720-145549591",
    id = "https://authors.library.caltech.edu/records/bzp1v-z2h04",
    doi = "10.1007/978-1-4684-1890-3\_45"
}