W. Goddard III

发表

Selective oxidation and ammoxidation of propene on bismuth molybdates, ab initio calculations

Y. H. Jang, W. Goddard III, W. A. Goddard III, 2001 .

A Novel Method for Estimating the Charge Equilibrium within the Dendrites of Rechargeable Batteries

A. Aryanfar, W. Goddard III, Dimitri M. Saad, 2021 .

Understanding Reaction Networks through Controlled Approach to Equilibrium Experiments Using Transient Methods.

A. Fortunelli, G. Yablonsky, R. Fushimi, 2021, Journal of the American Chemical Society.

High-Throughput Screening to Predict Highly Active Dual-Atom Catalysts for Electrocatalytic Reduction of Nitrate to Ammonia

C. Musgrave, Zhengtang Luo, Faisal Rehman, 2022, SSRN Electronic Journal.

Selective CO2 Electrochemical Reduction Enabled by a Tricomponent Copolymer Modifier on a Copper Surface.

R. Grubbs, Aidan Q. Fenwick, J. Ko, 2021, Journal of the American Chemical Society.

Structural, dynamic, and diffusion properties of a Li6(PS4)SCl superionic conductor from molecular dynamics simulations; prediction of a dramatically improved conductor

M. Yang, B. Merinov, T. Das, 2022, Journal of Materials Chemistry A.

Reaction mechanism and kinetics for N2 reduction to ammonia on the Fe–Ru based dual-atom catalyst

Zhengtang Luo, M. Hossain, Faisal Rehman, 2022, Journal of Materials Chemistry A.

Phosphine Modulation for Enhanced CO2 Capture: Quantum Mechanics Predictions of New Materials.

A. Prokofjevs, W. Goddard III, Charles B. Musgrave III, 2022, The journal of physical chemistry letters.

Shift-Collapse Acceleration of Generalized Polarizable Reactive Molecular Dynamics for Machine Learning-Assisted Computational Synthesis of Layered Materials

Rajiv K. Kalia, Sungwook Hong, Priya Vashishta, 2018, 2018 IEEE/ACM 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (scalA).

Stabilization of coiled-coil peptide domains by introduction of trifluoroleucine.

N Vaidehi, W. DeGrado, N. Vaidehi, 2001, Biochemistry.

Reaction mechanism and kinetics for ammonia synthesis on the Fe(211) reconstructed surface.

A. Fortunelli, Q. An, W. Goddard III, 2019, Physical chemistry chemical physics : PCCP.

Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes

Jonathan P. Mailoa, J. Grossman, G. Samsonidze, 2019, Nature Communications.

Mechanisms and energetics of free radical initiated disulfide bond cleavage in model peptides and insulin by mass spectrometry

Chang Ho Sohn, J. Beauchamp, Daniel A. Thomas, 2015, Chemical science.

Efficient hydrogen evolution by ternary molybdenum sulfoselenide particles on self-standing porous nickel diselenide foam

Z. Ren, J. Bao, Yufeng Huang, 2016, Nature Communications.

Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics

T. Yu, Yufeng Huang, Zhengtang Luo, 2020, Nature Communications.

Theoretical predictions for hot-carrier generation from surface plasmon decay

Ravishankar Sundararaman, Harry A. Atwater, William A. Goddard III, 2014, Nature Communications.

Mechanically bonded macromolecules.

J. F. Stoddart, W. Goddard, M. A. Olson, 2010, Chemical Society reviews.

Energetically demanding transport in a supramolecular assembly.

Nicolaas A. Vermeulen, J. F. Stoddart, W. Goddard, 2014, Journal of the American Chemical Society.

Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes.

W. Goddard, F. Toste, Diego Benítez, 2010, Chemical science.

Deciphering the Atomistic Mechanism of Si(111)-7 × 7 Surface Reconstruction Using a Machine-Learning Force Field.

Yidi Shen, W. Goddard III, Sergey I Morozov, 2023, Journal of the American Chemical Society.

Stabilizing Highly Active Ru Sites by Suppressing Lattice Oxygen Participation in Acidic Water Oxidation.

Huisheng Peng, Youyong Li, O. Voznyy, 2021, Journal of the American Chemical Society.

Mechanistic study of gold(I)-catalyzed intermolecular hydroamination of allenes.

W. Goddard, F. Toste, Diego Benítez, 2010, Journal of the American Chemical Society.

Deformation mechanisms in high-efficiency thermoelectric layered Zintl compounds

G. J. Snyder, W. Goddard, Qingjie Zhang, 2017 .

Morphometry of Dendritic Materials in Rechargeable Batteries

A. Aryanfar, W. Goddard III, Sajed Medlej, 2021 .

Atomistic Explanation of the Dramatically Improved Oxygen Reduction Reaction of Jagged Platinum Nanowires, 50 times better than Pt.

Yalu Chen, T. Cheng, W. Goddard III, 2020, Journal of the American Chemical Society.

Role of Ferryl Ion Intermediates in Fast Fenton Chemistry on Aqueous Microdroplets.

C. Musgrave, M. Hoffmann, A. Colussi, 2021, Environmental science & technology.

Non-bonding Interaction of Dual Atom Catalysts for Enhanced Oxygen Reduction Reaction

Tongchao Liu, K. Amine, Zhengtang Luo, 2023, Nano Energy.

Chapter 7 Molecular Dynamics Simulations of Fluoro Polymers: Prediction of Glass Transition Temperatures Using United Atom Force Fields

G. Gao, M. Belmares, W. Goddard III, 2022 .

Nucleation of amorphous shear bands at nanotwins in boron suboxide

Ming-Wei Chen, K. Hemker, J. Qian, 2016, Nature Communications.

The atomistic origin of the extraordinary oxygen reduction activity of Pt3Ni7 fuel cell catalysts

F. Negreiros, A. Fortunelli, A. Jaramillo-Botero, 2015, Chemical science.

The para-substituent effect and pH-dependence of the organometallic Baeyer-Villiger oxidation of rhenium-carbon bonds.

R. Periana, T. Gunnoe, M. Cheng, 2012, Dalton transactions.

A Surrogate Machine Learning Model for the Design of Single-Atom Catalyst on Carbon and Porphyrin Supports towards Electrochemistry

Shuguang Chen, Mohsen Tamtaji, Ziyang Hu, 2023, The Journal of Physical Chemistry C.