<h1>Goddard, William</h1>
<h2>Book Chapter from <a href="https://authors.library.caltech.edu">CaltechAUTHORS</a></h2>
<ul>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-080315832">Nanotechnology</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1127-1140; <a href="https://doi.org/10.1007/978-3-030-18778-1_52">10.1007/978-3-030-18778-1_52</a></li>
<li>Shevade, Abhijit V. and Homer, Margie L., el al. (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-085458420">Rapid Screening of Chemical Sensing Materials Using Molecular Modeling Tools for the JPL Electronic Nose</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 315-328; <a href="https://doi.org/10.1007/978-3-030-18778-1_16">10.1007/978-3-030-18778-1_16</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-070905792">Free Energy and Entropy from MD</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1089-1095; <a href="https://doi.org/10.1007/978-3-030-18778-1_48">10.1007/978-3-030-18778-1_48</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-070440795">Charges and Polarization Without QM</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1073-1077; <a href="https://doi.org/10.1007/978-3-030-18778-1_46">10.1007/978-3-030-18778-1_46</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210126-151500519">Ab Initio Pseudopotentials (Extending Ab Initio QM Throughout the Periodic Table)</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1049-1053; <a href="https://doi.org/10.1007/978-3-030-18778-1_43">10.1007/978-3-030-18778-1_43</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-075939203">Ceramics–Boron Carbide-Ferroelectrics</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1153-1161; <a href="https://doi.org/10.1007/978-3-030-18778-1_54">10.1007/978-3-030-18778-1_54</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-071348153">Thermoelectrics</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1183-1186; <a href="https://doi.org/10.1007/978-3-030-18778-1_58">10.1007/978-3-030-18778-1_58</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-071711357">Electrocatalytic CO₂ Reduction</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1265-1279; <a href="https://doi.org/10.1007/978-3-030-18778-1_66">10.1007/978-3-030-18778-1_66</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210126-155318866">DNA-RNA</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1325-1330; <a href="https://doi.org/10.1007/978-3-030-18778-1_69">10.1007/978-3-030-18778-1_69</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-073755455">Extracting Reaction Kinetics for Complex Reaction Systems</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1097-1108; <a href="https://doi.org/10.1007/978-3-030-18778-1_49">10.1007/978-3-030-18778-1_49</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-081452702">Mechanisms for Homogeneous Catalysis</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1219-1233; <a href="https://doi.org/10.1007/978-3-030-18778-1_62">10.1007/978-3-030-18778-1_62</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-075716768">Polymers: Dendrimers-Network-Electrolye-NLO</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1283-1295; <a href="https://doi.org/10.1007/978-3-030-18778-1_67">10.1007/978-3-030-18778-1_67</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-072017019">GPCR and Other Proteins: Predictions of Structures and Ligand Binding</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1297-1324; <a href="https://doi.org/10.1007/978-3-030-18778-1_68">10.1007/978-3-030-18778-1_68</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-074759197">Superconductors: Cuprate High Tc and BEDT-TTF Organic Superconductors</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1203-1215; <a href="https://doi.org/10.1007/978-3-030-18778-1_61">10.1007/978-3-030-18778-1_61</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-075051440">Mechanisms for Heterogeneous Catalysis</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1235-1248; <a href="https://doi.org/10.1007/978-3-030-18778-1_63">10.1007/978-3-030-18778-1_63</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-070137028">Electron Dynamics and Electron Transfer</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1055-1062; <a href="https://doi.org/10.1007/978-3-030-18778-1_44">10.1007/978-3-030-18778-1_44</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-073251102">Force Fields for Reactive Dynamics (ReaxFF, RexPoN)</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1079-1087; <a href="https://doi.org/10.1007/978-3-030-18778-1_47">10.1007/978-3-030-18778-1_47</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-080636206">Methods for GVB and Extended Wavefunctions and for DFT</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1033-1048; <a href="https://doi.org/10.1007/978-3-030-18778-1_42">10.1007/978-3-030-18778-1_42</a></li>
<li>Malinska, Maura and Kim, Soo-Kyung, el al. (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-083243229">Structural Variation and Odorant Binding for Olfactory Receptors Selected from the Six Major Subclasses of the OR Phylogenetic Tree</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 855-925; <a href="https://doi.org/10.1007/978-3-030-18778-1_37">10.1007/978-3-030-18778-1_37</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210126-154926612">MOFs, COFs, and ZIFs Plus H₂ and CH₄ Storage</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1187-1192; <a href="https://doi.org/10.1007/978-3-030-18778-1_59">10.1007/978-3-030-18778-1_59</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-081218603">Energetic Materials</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1193-1201; <a href="https://doi.org/10.1007/978-3-030-18778-1_60">10.1007/978-3-030-18778-1_60</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-072705338">GVB Interpretations of Bonding and Reactions</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 993-1032; <a href="https://doi.org/10.1007/978-3-030-18778-1_41">10.1007/978-3-030-18778-1_41</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210126-154635775">Batteries</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1177-1181; <a href="https://doi.org/10.1007/978-3-030-18778-1_57">10.1007/978-3-030-18778-1_57</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-081738476">Fuel Cells Electrocatalysis with QM and FF</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1249-1256; <a href="https://doi.org/10.1007/978-3-030-18778-1_64">10.1007/978-3-030-18778-1_64</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-073542895">Surface Science</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1119-1125; <a href="https://doi.org/10.1007/978-3-030-18778-1_51">10.1007/978-3-030-18778-1_51</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-071120234">Solar Cells</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1173-1176; <a href="https://doi.org/10.1007/978-3-030-18778-1_56">10.1007/978-3-030-18778-1_56</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-074125628">Metals</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1141-1151; <a href="https://doi.org/10.1007/978-3-030-18778-1_53">10.1007/978-3-030-18778-1_53</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-073005665">Classical Force Fields and Methods of Molecular Dynamics</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1063-1072; <a href="https://doi.org/10.1007/978-3-030-18778-1_45">10.1007/978-3-030-18778-1_45</a></li>
<li>Choi, Kyung Min and Jeong, Hyung Mo, el al. (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-081958170">Atomic and Molecular Unit Energy Conversion Catalysis of Carbon Dioxides in Value-Added Chemical Fuels</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 743-766; <a href="https://doi.org/10.1007/978-3-030-18778-1_33">10.1007/978-3-030-18778-1_33</a></li>
<li>Anz, Samir J. and Margolese, David I., el al. (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-090228375">Damage-Free Atomic-Scale Etching and Surface Enhancements by Electron-Enhanced Reactions: Results and Simulations</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 603-627; <a href="https://doi.org/10.1007/978-3-030-18778-1_26">10.1007/978-3-030-18778-1_26</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-075413944">Electrocatalytic Water Splitting (H₂O → H₂+½ O₂)</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1257-1264; <a href="https://doi.org/10.1007/978-3-030-18778-1_65">10.1007/978-3-030-18778-1_65</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-070638993">Solvation Methods and Applications</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1109-1115; <a href="https://doi.org/10.1007/978-3-030-18778-1_50">10.1007/978-3-030-18778-1_50</a></li>
<li>Goddard, William A., III (2021) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210127-074523474">Mechanically Bonded Materials (Stoddart)</a>; ISBN 978-3-030-18777-4; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; 1163-1171; <a href="https://doi.org/10.1007/978-3-030-18778-1_55">10.1007/978-3-030-18778-1_55</a></li>
<li>Shen, Yidi and An, Qi, el al. (2020) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210606-023516728">Nanotwinning and Directed Alloying to Enhance the Strength and Ductility of Superhard Materials</a>; ISBN 9780429351594; 21st Century Nanoscience – A Handbook: Industrial Applications; <a href="https://doi.org/10.1201/9780429351594-22">10.1201/9780429351594-22</a></li>
<li>Liu, Kuang and Tiwari, Subodh, el al. (2018) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20190423-124212621">Shift-Collapse Acceleration of Generalized Polarizable Reactive Molecular Dynamics for Machine Learning-Assisted Computational Synthesis of Layered Materials</a>; ISBN 978-1-7281-0176-7; 2018 IEEE/ACM 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (scalA); 41-48; <a href="https://doi.org/10.1109/ScalA.2018.00009">10.1109/ScalA.2018.00009</a></li>
<li>Yu, Ted H. and Merinov, Boris V., el al. (2018) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20210605-224527637">Quantum Mechanical Calculations of the Degradation in Perfluorinated Membranes Used in Fuel Cells</a>; ISBN 9781119196051; The Chemistry of Membranes Used in Fuel Cells: Degradation and Stabilization; 241-269; <a href="https://doi.org/10.1002/9781119196082.ch10">10.1002/9781119196082.ch10</a></li>
<li>Dong, Sijia S. and Goddard, William A., III, el al. (2017) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20171009-101552794">Identifying multiple active conformations in the G protein-coupled receptor activation landscape using computational methods</a>; ISBN 9780128133194; G Protein-Coupled Receptors Part A; 173-186; <a href="https://doi.org/10.1016/bs.mcb.2017.07.009">10.1016/bs.mcb.2017.07.009</a></li>
<li>Kelber, Jeffry and Jones, Jessica, el al. (2016) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20170809-152211038">Direct growth of graphene on dielectric substrates: Epitaxy at incommensurate and reactive interfaces</a>; ISBN 978-1-4673-9719-3; 2016 13th IEEE International Conference on Solid-State and Integrated Circuit Technology (ICSICT); 470-473; <a href="https://doi.org/10.1109/ICSICT.2016.7998954">10.1109/ICSICT.2016.7998954</a></li>
<li>Kim, Soo-Kyung and Goddard III, William A. (2016) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20170130-142028601">Molecular-Docking-Based Drug Design and Discovery: Rational Drug Design for the Subtype Selective GPCR Ligands</a>; <a href="https://doi.org/10.4018/978-1-5225-0362-0.ch006">10.4018/978-1-5225-0362-0.ch006</a></li>
<li>Kanady, Jacob S. and Mendoza-Cortés, José L., el al. (2015) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20160816-082206716">Oxygen-Evolving Complex of Photosystem II: Insights from Computation and Synthetic Models</a>; ISBN 9781439813188; Metalloproteins: Theory, Calculations, and Experiments; 165-203</li>
<li>Aryanfar, Asghar and Cheng, Tao, el al. (2015) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20151016-151554765">Lithium Dendrite Inhibition on Post-Charge Anode Surface: The Kinetics Role</a>; <a href="https://doi.org/10.1557/opl.2015.745">10.1557/opl.2015.745</a></li>
<li>van Duin, Adri C. T. and Zou, Chenyu, el al. (2013) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20151119-123721297">A ReaxFF Reactive Force-field for Proton Transfer Reactions in Bulk Water and its Applications to Heterogeneous Catalysis</a>; ISBN 978-1-84973-451-6; Computational Catalysis; 223-243; <a href="https://doi.org/10.1039/9781849734905-00223">10.1039/9781849734905-00223</a></li>
<li>Abrol, Ravinder and Kim, Soo-Kyung, el al. (2013) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20130128-104922610">Conformational Ensemble View of G Protein-Coupled Receptors and the Effect of Mutations and Ligand Binding</a>; ISBN 9780123918611; G Protein Coupled Receptors — Structure; 31-48; <a href="https://doi.org/10.1016/B978-0-12-391861-1.00002-2">10.1016/B978-0-12-391861-1.00002-2</a></li>
<li>Han, Si-ping and Goddard, William A., III (2012) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20130416-080407462">DNA-directed assembly of multicomponent single-walled carbon nanotube devices</a>; ISBN 9781439860168; Handbook of Nanoscience, Engineering, and Technology; 1017-1035; <a href="https://doi.org/10.1201/b11930-38">10.1201/b11930-38</a></li>
<li>Jaramillo-Botero, Andres and Tahir-Kheli, Jamil, el al. (2012) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20120516-140721126">Multiscale, multiparadigm modeling for nano systems characterization and design</a>; ISBN 9781439860151; Handbook of Nanoscience, Engineering and Technology; 935-982</li>
<li>An, Q. and Ravelo, R., el al. (2012) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20120409-072731815">Shock compression and spallation of single crystal tantalum</a>; ISBN 978-0-7354-1006-0; 2011 Shock Compression of Condensed Matter; 1259-1262; <a href="https://doi.org/10.1063/1.3686509">10.1063/1.3686509</a></li>
<li>Abrol, Ravinder and Griffith, Adam R., el al. (2012) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20120924-135021664">Structure Prediction of G Protein-Coupled Receptors and Their Ensemble of Functionally Important Conformations</a>; ISBN 978-1-62703-022-9; Membrane Protein Structure and Dynamics: Methods and Protocols; 237-254; <a href="https://doi.org/10.1007/978-1-62703-023-6_14">10.1007/978-1-62703-023-6_14</a></li>
<li>Abrol, Ravinder and Goddard, William A., III (2011) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20160801-124351119">G Protein-Coupled Receptors: Conformational &quot;Gatekeepers&quot; of Transmembrane Signal Transduction and Diversification</a>; ISBN 978-1-84973-160-7; Extracellular and Intracellular Signaling; 188-229; <a href="https://doi.org/10.1039/9781849733434-00188">10.1039/9781849733434-00188</a></li>
<li>Jaramillo-Botero, Andres and Nielsen, Robert, el al. (2011) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20111031-095200294">First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes</a>; ISBN 9783642249679; Multiscale Molecular Methods in Applied Chemistry; 1-42; <a href="https://doi.org/10.1007/128_2010_114">10.1007/128_2010_114</a></li>
<li>Ojwang', J. G. O. and van Santen, Rutger, el al. (2008) <a href="https://resolver.caltech.edu/CaltechAUTHORS:OJWaipcp08">Modeling of Hydrogen Storage Materials: A Reactive Force Field for NaH</a>; ISBN 978-0-7354-0574-5; 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; 23-27; <a href="https://doi.org/10.1063/1.2997304">10.1063/1.2997304</a></li>
<li>Tang, Harvey and Rye, Janet, el al. (2007) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20101101-080015365">Quantization of Crack Speeds in Dynamic Fracture of Silicon: Multiparadigm ReaxFF Modeling</a>; ISBN 978-1-55899-866-7; Amorphous and Polycrystalline Thin-Film Silicon Science and Technology; 149-154</li>
<li>Persson, P. and Lundqvist, M. J., el al. (2006) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20181109-124602900">Quantum-chemical calculations of dye-sensitized semiconductor nanocrystals</a>; ISBN 9780819464040; Physical Chemistry of Interfaces and Nanomaterials V; Art. No. 63250P; <a href="https://doi.org/10.1117/12.681717">10.1117/12.681717</a></li>
<li>van Duin, Adri C. T. and Zybin, Sergey V., el al. (2006) <a href="https://resolver.caltech.edu/CaltechAUTHORS:DUIaipcp06">Reactive Force Fields Based on Quantum Mechanics for Applications to Materials at Extreme Conditions</a>; ISBN 0-7354-0341-4; 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; 581-584; <a href="https://doi.org/10.1063/1.2263389">10.1063/1.2263389</a></li>
<li>Oleynik, I. I. and Conroy, M., el al. (2006) <a href="https://resolver.caltech.edu/CaltechAUTHORS:OLEaipcp06a">Energetic Materials at High Compression: First-Principles Density Functional Theory and Reactive Force Field Studies</a>; ISBN 0-7354-0341-4; 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; 573-576; <a href="https://doi.org/10.1063/1.2263387">10.1063/1.2263387</a></li>
<li>Zhang, Luzheng and Zybin, Sergey V., el al. (2006) <a href="https://resolver.caltech.edu/CaltechAUTHORS:ZHAaipcp06a">Thermal Decomposition of Energetic Materials by ReaxFF Reactive Molecular Dynamics</a>; ISBN 0-7354-0341-4; 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; 589-592; <a href="https://doi.org/10.1063/1.2263391">10.1063/1.2263391</a></li>
<li>Zhang, L. and Zybin, S. V., el al. (2006) <a href="https://resolver.caltech.edu/CaltechAUTHORS:ZHAaipcp06b">Shock Induced Decomposition and Sensitivity of Energetic Materials by ReaxFF Molecular Dynamics</a>; ISBN 0-7354-0341-4; 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; 585-588; <a href="https://doi.org/10.1063/1.2263390">10.1063/1.2263390</a></li>
<li>Molinero, Valeria and Goddard, William A. (2006) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20161206-100436817">Molecular Modeling of Carbohydrates with No Charges, No Hydrogen Bonds, and No Atoms</a>; ISBN 9780841239531; NMR Spectroscopy and Computer Modeling of Carbohydrates; 271-284; <a href="https://doi.org/10.1021/bk-2006-0930.ch015">10.1021/bk-2006-0930.ch015</a></li>
<li>Molinero, Valeria and Goddard, William A., III (2006) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20110810-095550953">How does water diffuse in glasses of carbohydrates?</a>; ISBN 978-0-8493-2993-7; Water Properties of Food, Pharmaceutical, and Biological Materials; 39-57</li>
<li>Goddard, William A., III (2005) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20191015-103831302">A Perspective of Materials Modeling</a>; ISBN 978-1-4020-3287-5; Handbook of Materials Modeling; 2707-2711; <a href="https://doi.org/10.1007/978-1-4020-3286-8_151">10.1007/978-1-4020-3286-8_151</a></li>
<li>Strachan, Alejandro and van Duin, Adri C. T., el al. (2004) <a href="https://resolver.caltech.edu/CaltechAUTHORS:STRAaipcp04">Initial Chemical Events in the Energetic Material RDX under Shock Loading: Role of Defects</a>; ISBN 0-7354-0181-0; 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; 895-898; <a href="https://doi.org/10.1063/1.1780381">10.1063/1.1780381</a></li>
<li>Meulbroek, Peter and Cathles, Larry, el al. (2004) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20180717-084923561">HCToolkit/EOS interface: an open source, multi-platform phase equilibria framework for exploring phase behaviour of complex mixtures</a>; <a href="https://doi.org/10.1144/GSL.SP.2004.237.01.06">10.1144/GSL.SP.2004.237.01.06</a></li>
<li>Heifets, E. and Eglitis, R. I., el al. (2003) <a href="https://resolver.caltech.edu/CaltechAUTHORS:HEIaipcp03">Calculations of Perovskite Polar Surface Structures</a>; ISBN 0-7354-0146-2; Fundamental Physics of Ferroelectrics 2003; 210-219; <a href="https://doi.org/10.1063/1.1609956">10.1063/1.1609956</a></li>
<li>Goddard, William A., III and Zhang, Qingsong, el al. (2002) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20111026-130045474">The ReaxFF polarizable reactive force fields for molecular dynamics simulation of ferroelectrics</a>; ISBN 0-7354-0079-2; Fundamental physics of ferroelectrics 2002; 45-55; <a href="https://doi.org/10.1063/1.1499551">10.1063/1.1499551</a></li>
<li>Zhou, Yanhua and Çağin, Tahir, el al. (2001) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20161130-155623074">Structural and Dynamic Properties of Hexadecane Lubricants under Shear Flow in a Confined Geometry</a>; ISBN 9780841237179; Solid-Liquid Interface Theory; 158-177; <a href="https://doi.org/10.1021/bk-2001-0789.ch012">10.1021/bk-2001-0789.ch012</a></li>
<li>Vaidehi, Nagarajan and Goddard, William A., III (2001) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20190627-122009397">Atomic-Level Simulation and Modeling of Biomacromolecules</a>; ISBN 0262024810; Computational Modeling of Genetic and Biochemical Networks; 161-188</li>
<li>Perry, J. W. and Marder, S. R., el al. (1995) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20180406-080326593">Hyperpolarizabilities of Push—Pull Polyenes Molecular Orbital and Valence-Bond Charge-Transfer Models</a>; ISBN 9780841232631; Polymers for Second-Order Nonlinear Optics; 45-56; <a href="https://doi.org/10.1021/bk-1995-0601.ch003">10.1021/bk-1995-0601.ch003</a></li>
<li>Bierwagen, Erik P. and Coley, Terry R., el al. (1995) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20180406-080326206">Parallel Calculation of Electron-Transfer and Resonance Matrix Elements of Hartree-Fock and Generalized Valence Bond Wave Functions</a>; ISBN 9780841231665; Parallel Computing in Computational Chemistry; 84-96; <a href="https://doi.org/10.1021/bk-1995-0592.ch007">10.1021/bk-1995-0592.ch007</a></li>
<li>Goddard, William A., III and Lu, Daqi, el al. (1995) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20180405-153634422">Valence Bond Charge Transfer Theory for Predicting Nonlinear Optical Properties of Organic Materials</a>; ISBN 9780841231603; Computer-Aided Molecular Design; 341-358; <a href="https://doi.org/10.1021/bk-1995-0589.ch025">10.1021/bk-1995-0589.ch025</a></li>
<li>Naylor, Adel M. and Goddard, William A., III (1989) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20180405-085513310">Application of Simulation and Theory to Biocatalysis and Biomimetics</a>; ISBN 9780841216112; Biocatalysis and Biomimetics; 65-87; <a href="https://doi.org/10.1021/bk-1989-0392.ch006">10.1021/bk-1989-0392.ch006</a></li>
<li>Allison, Janet N. and Goddard, William A., III (1985) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20180404-153846163">Active Sites on Molybdate Surfaces, Mechanistic Considerations for Selective Oxidation, and Ammoxidation of Propene</a>; ISBN 9780841209152; Solid State Chemistry in Catalysis; 23-36; <a href="https://doi.org/10.1021/bk-1985-0279.ch002">10.1021/bk-1985-0279.ch002</a></li>
<li>Goddard, William A., III and Olafson, Barry D. (1979) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20230728-234737362">Theoretical Studies of the Bonding of O₂ to Hemoglobin; Implications for Cooperativity</a>; ISBN 978-0-12-164380-5; Biochemical and Clinical Aspects of Oxygen; 87-123; <a href="https://doi.org/10.1016/B978-0-121-64380-5.X5001-4">10.1016/B978-0-121-64380-5.X5001-4</a></li>
<li>Goddard, William A., III and Harding, Lawrence B. (1979) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20230607-256279000.5">Singlet molecular oxygen chemistry and implications for flavin-cofactor hydroxylations</a>; ISBN 978-0-12-164380-5; Biochemical and Clinical Aspects of Oxygen; 513-555; <a href="https://doi.org/10.1016/b978-0-12-164380-5.50035-9">10.1016/b978-0-12-164380-5.50035-9</a></li>
<li>Goddard, William A., III and O'Keefe, Patricia M. (1971) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20180720-145549591">The Use of the GI Method in Band Calculations on Solids</a>; <a href="https://doi.org/10.1007/978-1-4684-1890-3_45">10.1007/978-1-4684-1890-3_45</a></li>
</ul>