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S

Simone Raugei

pacific northwest national laboratory

50H指数
230论文数
6.7K被引数
收录论文 106
发表时间
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Geometry, spin coupling, and dielectric control of redox potentials in [4Fe–4S] Clusters[4Fe–4S]簇中几何结构、自旋耦合和介电效应对氧化还原电位的影响
errJournal of Biological Inorganic Chemistry
IF2.7
err2026-07-16
err0
PREAI
errPeter S. Rice; Bruno Jacob; Khushbu Agarwal; Marcel D. Baer; Simone Raugei
err分享
err收藏
Understanding the Thermodynamics of Water on Anatase TiO2(101)-Faceted Nanocrystals理解锐钛矿型TiO2(101)-晶面纳米晶体上的水热力学
errThe Journal of Physical Chemistry C
IF3.2
err2026-05-29
err0
PREAI
errCarrington G. Moore; Benjamin M. Moskowitz; Libor Kovarik; Mark H. Engelhard; Gregory B. Collinge; Mal-Soon Lee; Jean-Sabin McEwen; Simone Raugei; Huamin Wang; Yong Wang
err分享
err收藏
Toward a Unified Kinetic Model of Nitrogenase Catalysis氮酶催化统一动力学模型研究
errACS Catalysis
IF13.1
err2025-10-15
err0
PREAI
errDerek F. Harris; Dennis R. Dean; Brian M. Hoffman; Simone Raugei; Lance C. Seefeldt
err分享
err收藏
The Properties That Allow Tuning the Reduction Potentials over a Volt Range in Biological Iron/Sulfur Clusters允许在生物铁/硫簇中在伏特范围内调整还原电位的特性
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-05-01
err0
errOAAI
errDereli, Busra; Baer, Marcel D.; Peters, John W.; Raugei, Simone
err分享
err收藏
Hydrogen Adsorption, Reactivity, and Catalysis on Colloidal Iron Carbide Nanoparticles胶体碳化铁纳米颗粒上的氢气吸附、反应性和催化作用
errACS CATALYSIS
IF13.1
err2025-04-01
err0
PREAI
errDwarica, NS; Rice, PS; Groh, JT; Gibson, NJ; Menges, FS; Mercado, BQ; Raugei, S; Mayer, JM
err分享
err收藏
Mechanistic Insights into Molecular Copper Hydride Catalysis: the Kinetic Stability of CuH Monomers toward Aggregation is a Critical Parameter for Catalyst Performance分子铜氢化物催化机理的洞察：CuH单体在聚集方面的动力学稳定性是催化剂性能的关键参数
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-03-31
err0
PREAI
errRyan, David E.; Fuller III, Jack T.; Patrick, Evan A.; Erickson, Jeremy D.; Speelman, Amy L.; Carroll, Timothy G.; Schenter, Gregory K.; Ginovska, Bojana; Raugei, Simone; Bullock, R. Morris
err分享
err收藏
Structural and Mechanistic Advances in the Chemistry of Methyl-Coenzyme M Reductase (MCR)甲基辅酶M还原酶（MCR）化学的结构与机制进展
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2025-03-05
err0
PREAI
errGinovska, B; Raugei, S; Ragsdale, SW; Ohmer, C; Sarangi, R
err分享
err收藏
The Role of Surface Hydroxyls in Dehydration and Dehydrogenation of Formic Acid on Fe3O4(001)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-02-03
err0
PREAI
errSharp, Marcus A.; Nguyen, Hoan K. K.; Lee, Christopher J.; Sauter, Eric; Wang, Yuemin; Woll, Christof; Jackson, Benjamin A.; Lee, Mal-Soon; Kay, Bruce D.; Raugei, Simone; Arnadottir, Liney; Dohnalek, Zdenek
err分享
err收藏
Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe2S2(SCH3)4]2-,3-,4-, [Fe2S2(SCys)4]2-, [Fe2S2(S-p-tol)4]2-, and [Fe2S2(S-o-xyl)4]2- Complexes电子相关对 [2Fe-2S] 系统的几何和电子结构的重要性: [Fe2S2(SCH3)4]2-，3-，4-，[Fe2S2(SCys)4]2-的基准研究，[Fe2S2 (s-p-tol) 4]2-和 [Fe2S2 (s-o-xyl) 4]2-配合物
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-19
err2
PREAI
errTzeli, Demeter; Golub, Pavlo; Brabec, Jiri; Matousek, Mikulas; Pernal, Katarzyna; Veis, Libor; Raugei, Simone; Xantheas, Sotiris S.
err分享
err收藏
Dynamic Activation of Single-Atom Catalysts by Reaction Intermediates: Conversion of Formic Acid on Rh/Fe3O4(001)
errACS CATALYSIS
IF13.1
err2024-10-03
err0
PREAI
errLee, Christopher J.; Sharp, Marcus A.; Jackson, Benjamin A.; Mahapatra, Mausumi; Raugei, Simone; Arnadottir, Liney; Lee, Mal-Soon; Kay, Bruce D.; Dohnalek, Zdenek
err分享
err收藏
Molecular mechanism of trehalose 6-phosphate inhibition of the plant metabolic sensor kinase SnRK1
errSCIENCE ADVANCES
IF12.5
err2024-05-17
err1
errOAAI
errBlanford, Jantana; Zhai, Zhiyang; Baer, Marcel D.; Guo, Gongrui; Liu, Hui; Liu, Qun; Raugei, Simone; Shanklin, John
err分享
err收藏
Understanding metal preferences in homologous acetone carboxylases
errJOURNAL OF BIOLOGICAL CHEMISTRY
IF3.9
err2024-03-01
err0
errOAAI
errDixon, Tamara; Shisler, Krista; Kincannon, William; Valaydon-Pillay, Adam; Stoian, Sebastian; Raugei, Simone; Bothner, Brian; DuBois, Jennifer; Peters, John
err分享
err收藏
Homologous acetone carboxylases select Fe(II) or Mn(II) as the catalytic cofactor
errMBIO
IF4.7
err2024-02-14
err0
errOAAI
errShisler, Krista A.; Kincannon, William M.; Mattice, Jenna R.; Larson, James; Valaydon-Pillay, Adam; Mus, Florence; Flusche, Tamara; Kumar Nath, Arnab; Stoian, Sebastian A.; Raugei, Simone; Bothner, Brian; Dubois, Jennifer L.; Peters, John W.
err分享
err收藏
Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errTran, Ba L.; Fuller, Jack T.; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
err分享
err收藏
Ni2P active site ensembles tune electrocatalytic nitrate reduction selectivity
errCHEMICAL COMMUNICATIONS
IF4.2
err2024-01-01
err3
PREAI
errNishiwaki, Emily; Rice, Peter S.; Kuo, Ding-Yuan; Dou, Florence Y.; Pyka, Anthony; Reid, Bryce; Nguyen, Hao A.; Stuve, Eric M.; Raugei, Simone; Cossairt, Brandi M.
err分享
err收藏
Fe protein docking transduces conformational changes to MoFe nitrogenase active site in a nucleotide-dependent manner
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2023-11-18
err3
errOAAI
errTokmina-Lukaszewska, Monika; Huang, Qi; Berry, Luke; Kallas, Hayden; Peters, John W.; Seefeldt, Lance C.; Raugei, Simone; Bothner, Brian
err分享
err收藏
Bioinspired Catalyst Design Principles: Progress in Emulating Properties of Enzymes in Synthetic Catalysts
errACS CATALYSIS
IF13.1
err2023-08-25
err13
errOAAI
errGinovska, Bojana; Gutierrez, Oliver Y.; Karkamkar, Abhi; Lee, Mal-Soon; Lercher, Johannes A.; Liu, Yue; Raugei, Simone; Rousseau, Roger; Shaw, Wendy J.
err分享
err收藏
A conformational equilibrium in the nitrogenase MoFe protein with an a-V70I amino acid substitution illuminates the mechanism of H2 formation
errFARADAY DISCUSSIONS
IF3.1
err2023-01-01
err6
PREAI
errLukoyanov, Dmitriy A.; Yang, Zhi-Yong; Shisler, Krista; Peters, John W.; Raugei, Simone; Dean, Dennis R.; Seefeldt, Lance C.; Hoffman, Brian M.
err分享
err收藏
Mechanistic investigation of SARS-CoV-2 main protease to accelerate design of covalent inhibitors
errSCIENTIFIC REPORTS
IF3.9
err2022-12-05
err5
errOAAI
errKim, Hoshin; Hauner, Darin; Laureanti, Joseph A.; Agustin, Kruel; Raugei, Simone; Kumar, Neeraj
err分享
err收藏
13C ENDOR Characterization of the Central Carbon within the Nitrogenase Catalytic Cofactor Indicates That the CFe6 Core Is a Stabilizing Heart of Steel
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-09-27
err15
errOAAI
errLukoyanov, Dmitriy A.; Yang, Zhi-Yong; Perez-Gonzalez, Ana; Raugei, Simone; Dean, Dennis R.; Seefeldt, Lance C.; Hoffman, Brian M.
err分享
err收藏

研究方向

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合作学者
合作期刊
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Mark Engelhard
H 指数: 134 · 论文数: 1.3K
M
Michael L. Klein
H 指数: 120 · 论文数: 1.2K
卢轶 封面图
卢轶 (Yi Lu)
H 指数: 114 · 论文数: 818
L
Luigi Cavallo
H 指数: 112 · 论文数: 1.2K
C
Christof Wöll
H 指数: 108 · 论文数: 1.0K
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