日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Structural, Electronic and Thermochemical preference for multi-PCET reactivity of Ruthenium(II)-Amine and Ruthenium(IV)-Amido Complexes

钌(II)-胺和钌(IV)-酰胺配合物的多重PCET反应活性的结构、电子和热化学偏好

Cattaneo, Mauricio; Parada, Giovanny A; Tenderholt, Adam L; Kaminsky, Werner; Mayer, James M

Multiple-site concerted proton-electron transfer reactions of hydrogen-bonded phenols are nonadiabatic and well described by semiclassical Marcus theory

氢键酚的多位点协同质子-电子转移反应是非绝热的,可以用半经典马库斯理论很好地描述。

Schrauben, Joel N; Cattaneo, Mauricio; Day, Thomas C; Tenderholt, Adam L; Mayer, James M

Substrate and metal control of barrier heights for oxo transfer to Mo and W bis-dithiolene sites

基底和金属对氧转移至 Mo 和 W 双二硫烯位点的势垒高度的控制

Tenderholt, Adam L; Hodgson, Keith O; Hedman, Britt; Holm, Richard H; Solomon, Edward I

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

化学领域的开放数据、开源和开放标准:蓝色方尖碑项目五年回顾

O'Boyle, Noel M; Guha, Rajarshi; Willighagen, Egon L; Adams, Samuel E; Alvarsson, Jonathan; Bradley, Jean-Claude; Filippov, Igor V; Hanson, Robert M; Hanwell, Marcus D; Hutchison, Geoffrey R; James, Craig A; Jeliazkova, Nina; Lang, Andrew Sid; Langner, Karol M; Lonie, David C; Lowe, Daniel M; Pansanel, Jérôme; Pavlov, Dmitry; Spjuth, Ola; Steinbeck, Christoph; Tenderholt, Adam L; Theisen, Kevin J; Murray-Rust, Peter

A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates

NRVS 和 DFT 相结合的 Fe(IV)=O 模型配合物研究:一种用于阐明非血红素铁酶中间体的诊断方法

Bell, Caleb B 3rd; Wong, Shaun D; Xiao, Yuming; Klinker, Eric J; Tenderholt, Adam L; Smith, Matt C; Rohde, Jan-Uwe; Que, Lawrence Jr; Cramer, Stephen P; Solomon, Edward I

Electronic control of the "Bailar twist" in formally d0-d2 molybdenum tris(dithiolene) complexes: a sulfur K-edge X-ray absorption spectroscopy and density functional theory study

电子控制形式上为d0-d2的钼三(二硫烯)配合物中的“Bailar扭曲”:硫K边X射线吸收光谱和密度泛函理论研究

Tenderholt, Adam L; Szilagyi, Robert K; Holm, Richard H; Hodgson, Keith O; Hedman, Britt; Solomon, Edward I

Sulfur K-edge XAS of WVO vs. MoVO bis(dithiolene) complexes: contributions of relativistic effects to electronic structure and reactivity of tungsten enzymes

WVO 与 MoVO 双(二硫烯)配合物的硫 K 边 XAS:相对论效应对钨酶电子结构和反应性的贡献

Tenderholt, Adam L; Szilagyi, Robert K; Holm, Richard H; Hodgson, Keith O; Hedman, Britt; Solomon, Edward I