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First-Principles Based Multiscale Multiparadigm Methods with Applications to Complex Materials and p
[会议论文] 作者：William A.Goddard Ⅲ,
来源：第四届国际分子模拟大会(The International Conference on Molecular Simula 年份：2016
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[会议论文] 作者：Julius Su,William A.Goddard Ⅲ,
来源：The International Conference on Theory and Applications of C 年份：2008
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The 3D structure prediction of TAS2R38 bitter receptors bound to the agonists phenylthiocarbamide (P
[会议论文] 作者：Jun Tan,Ravinder Abro,Bartosz Trzaskowski,William A.Goddard Ⅲ,
来源：第十一届全国计算(机)化学学术会议 年份：2011
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Reaction mechanisms of methane oxidation by the tricopper cluster in biomimetic complexes of the par
[会议论文] 作者：Fan Liu,Robert J.Nielsen,Sunney I.Chan,William A.Goddard Ⅲ,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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The 3D structure prediction of TAS2R38 bitter receptors bound to the agonists phenylthiocarbamide (P
[会议论文] 作者：Jun Tan,Ravinder Abro,Bartosz Trzaskowski,William A.Goddard Ⅲ,
来源：第十一届全国计算(机)化学学术会议 年份：2011
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[会议论文] 作者：Dezhou Guo,Fenglei Huang,Sergey V.Zybin,William A.Goddard Ⅲ,
来源：第四届国际分子模拟大会(The International Conference on Molecular Simula 年份：2016
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Reaction mechanisms of methane oxidation by the tricopper cluster in biomimetic complexes of the par
[会议论文] 作者：Fan Liu,Robert J.Nielsen,Sunney I.Chan,William A.Goddard Ⅲ,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
We report QM studies of the reaction mechanism for biomimetic tricopper complexes to convert methane to methanol after activation of O2....
[会议论文] 作者：Shu-Hao Wen,An Li,Junling Song,Wei-Qiao Deng,Ke-Li Han,William A.Goddard Ⅲ,
来源：第十一届全国化学动力学会议 年份：2009
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[期刊论文] 作者：Zhang,Tao Cheng,Sunmoon Yu,Sheena Louisia,Chubai Chen,Shouping Chen,Stefano Cestellos-Blanco,William A.Goddard,
来源：纳米研究（英文版） 年份：2021
The biggest challenge of exploring the catalytic properties of under-coordinated nanoclusters is the issue of stability.We demonstrate herein that chemical dopants on sulfur-doped graphene (S-G) can be utilized to stabilize ultrafine (sub-2......
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