William A Goddard Iii
Overview
Explore the profile of William A Goddard Iii including associated specialties, affiliations and a list of published articles.
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23
Citations
337
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Recent Articles
1.
Hazari A, Sawaya M, Lee H, Sajimon M, Kim H, Goddard Iii W, et al.
Chem Sci
. 2025 Mar;
PMID: 40060095
The rippled β-sheet is a structural motif formed by certain racemic peptides that is distinct from the commonly known pleated β-sheet. Although the structure was predicted in 1953, unambiguous crystallographic...
2.
Riasati A, Musgrave Iii C, Yeboah N, Prokofjevs A, Goddard Iii W
J Phys Chem Lett
. 2024 Oct;
15(43):10909-10917.
PMID: 39445744
We have developed a class of phosphido-boranes (BoPh's) with formula X[RPBH] that bind CO with exceptional strength (Δ = -8.2 to -24.0 kcal/mol) at ambient conditions. We use quantum mechanics...
3.
Zhang X, Sheng Y, Liu X, Yang J, Goddard Iii W, Ye C, et al.
J Chem Theory Comput
. 2024 Mar;
20(7):2908-2920.
PMID: 38551455
The graph representation of complex materials plays a crucial role in the field of inorganic and organic materials investigations for developing data-centric materials science, such as those using graph neural...
4.
Li B, Zhang H, Luo Y, Yu S, Goddard Iii W, Dang Y
J Am Chem Soc
. 2024 Feb;
146(9):6377-6387.
PMID: 38385755
We present comprehensive computational and experimental studies on the mechanism of an asymmetric photoredox/Pd dual-catalytic reductive C(sp)-C(sp) homocoupling of allylic electrophiles. In stark contrast to the canonical assumption that photoredox...
5.
Allen J, Zybin S, Morozov S, OSullivan O, Kawamura C, Waxler D, et al.
J Am Chem Soc
. 2024 Feb;
146(7):4500-4507.
PMID: 38330246
Preparation of a redox-frustrated high-energy-density energetic material is achieved by gentle protolysis of Mn[N(SiMe)] with the perchlorate salt of the tetrazolamide [HNBuMeTz]ClO (Tz = tetrazole), yielding the MnN hexagonal prismatic...
6.
Osella S, Goddard Iii W
J Am Chem Soc
. 2023 Sep;
145(39):21319-21329.
PMID: 37729535
In recent years, two-dimensional metal-organic frameworks (2D MOF) have attracted great interest for their ease of synthesis and for their catalytic activities and semiconducting properties. The appeal of these materials...
7.
Shen Y, Morozov S, Luo K, An Q, Goddard Iii W
J Am Chem Soc
. 2023 Sep;
145(37):20511-20520.
PMID: 37677844
While the complex 7 × 7 structure that arises upon annealing the Si(111) surface is well-known, the mechanism underlying this unusual surface reconstruction has remained a mystery. Here, we report...
8.
Musgrave Iii C, Prokofjevs A, Goddard Iii W
J Phys Chem Lett
. 2022 Nov;
13(48):11183-11190.
PMID: 36445256
It is imperative to develop efficient CO capture and activation technologies to combat the rising levels of deleterious greenhouse gases in the atmosphere. Using Quantum Mechanics methods (Density Functional Theory),...
9.
Wang Y, Qian J, Fang Z, Kunz M, Yablonsky G, Fortunelli A, et al.
J Am Chem Soc
. 2021 Jul;
143(29):10998-11006.
PMID: 34279927
We report a combined experimental/theoretical approach to studying heterogeneous gas/solid catalytic processes using low-pressure pulse response experiments achieving a controlled approach to equilibrium that combined with quantum mechanics (QM)-based computational...
10.
Wen Y, Chen P, Wang L, Li S, Wang Z, Abed J, et al.
J Am Chem Soc
. 2021 Apr;
143(17):6482-6490.
PMID: 33891414
In hydrogen production, the anodic oxygen evolution reaction (OER) limits the energy conversion efficiency and also impacts stability in proton-exchange membrane water electrolyzers. Widely used Ir-based catalysts suffer from insufficient...