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

Combining Density Functional Embedding Theory and DMRG-NEVPT2 to Treat Large Active Spaces: Addressing Electronic Structure Complexity in Single-Atom Alloys

结合密度泛函嵌入理论和DMRG-NEVPT2处理大活性空间:解决单原子合金的电子结构复杂性问题

Hutchison, Phillips; Wei, Ziyang; Carter, Emily A

Insights into Nonelectroactive C-C Bond Formation on Cu(100) during Electrochemical CO(2) Reduction from Multiconfigurational Wavefunction Theory

基于多组态波函数理论对电化学CO₂还原过程中Cu(100)表面非电活性C-C键形成机制的深入研究

Martirez, John Mark P; Carter, Emily A

An Autonomous Implantable Device for the Prevention of Death from Opioid Overdose.

一种用于预防阿片类药物过量致死的自主植入式装置

Ciatti Joanna L, Vazquez-Guardado Abraham, Brings Victoria E, Park Jihun, Ruyle Brian, Ober Rebecca A, McLuckie Alicia J, Talcott Michael R, Carter Emily A, Burrell Amy R, Sponenburg Rebecca A, Trueb Jacob, Gupta Prashant, Kim Joohee, Avila Raudel, Seong Minho, Slivicki Richard A, Kaplan Melanie A, Villalpando-Hernandez Bryan, Massaly Nicolas, Montana Michael C, Pet Mitchell, Huang Yonggang, Morón Jose A, Gereau Robert W 4th, Rogers John A

Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy

利用原子力显微镜观察金属酞菁中单个原子的电子轨道特征

Chen, Pengcheng; Fan, Dingxin; Selloni, Annabella; Carter, Emily A; Arnold, Craig B; Zhang, Yunlong; Gross, Adam S; Chelikowsky, James R; Yao, Nan

Highly Selective Electrochemical Reduction of CO(2) into Methane on Nanotwinned Cu

在纳米孪晶铜上实现CO₂高选择性电化学还原为甲烷

Cai, Jin; Zhao, Qing; Hsu, Wei-You; Choi, Chungseok; Liu, Yang; Martirez, John Mark P; Chen, Chih; Huang, Jin; Carter, Emily A; Huang, Yu

Minimizing the impacts of the ammonia economy on the nitrogen cycle and climate

最大限度地减少氨经济对氮循环和气候的影响

Bertagni, Matteo B; Socolow, Robert H; Martirez, John Mark P; Carter, Emily A; Greig, Chris; Ju, Yiguang; Lieuwen, Tim; Mueller, Michael E; Sundaresan, Sankaran; Wang, Rui; Zondlo, Mark A; Porporato, Amilcare

Charting C-C coupling pathways in electrochemical CO(2) reduction on Cu(111) using embedded correlated wavefunction theory

利用嵌入式关联波函数理论绘制Cu(111)表面电化学CO(2)还原反应中的CC耦合路径

Zhao, Qing; Martirez, John Mark P; Carter, Emily A

Breaking a dative bond with mechanical forces

用机械力打破与格键

Chen, Pengcheng; Fan, Dingxin; Zhang, Yunlong; Selloni, Annabella; Carter, Emily A; Arnold, Craig B; Dankworth, David C; Rucker, Steven P; Chelikowsky, James R; Yao, Nan

Plasmon damping depends on the chemical nature of the nanoparticle interface

等离子体阻尼取决于纳米颗粒界面的化学性质。

Foerster, Benjamin; Spata, Vincent A; Carter, Emily A; Sönnichsen, Carsten; Link, Stephan

Optimal functionalization of a molecular electrocatalyst for hydride transfer

用于氢化物转移的分子电催化剂的最佳功能化

Xu, Shenzhen; Carter, Emily A