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

Oxidation of a Dihydrophenazine Molecular Wire Attenuates Molecular Conductance

二氢吩嗪分子导线的氧化会降低分子电导率

Nau, Moritz; Ahmed, Raka; Leitherer, Susanne; Solomon, Gemma C; Winter, Rainer F

Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments

弥合差距:利用机器学习力场模拟更接近实验拉拔速度下的金断裂连接点

Bro-Jørgensen, William; Hamill, Joseph M; Donadio, Davide; Solomon, Gemma C

Substantial Magnetic Fields Arising from Ballistic Ring Currents in Single-Molecule Junctions

单分子结中弹道环电流产生的强磁场

Bro-Jørgensen, William; Sauer, Stephan P A; Solomon, Gemma C; Garner, Marc H

Frontier Orbital Gating of Rectification and Conductance in Tunneling Junctions Comprising Pyridine-Terminated Molecular Wires

吡啶末端分子导线隧道结中整流和电导的前沿轨道门控

Soni, Saurabh; Hyllested, Louise O H; Carlotti, Marco; Kumar, Sumit; Kardula, Jane; Camarasa-Gómez, María; Solomon, Gemma C; Chiechi, Ryan C

Hierarchical Quantum Embedding by Machine Learning for Large Molecular Assemblies

基于机器学习的分层量子嵌入方法在大型分子组装中的应用

Bensberg, Moritz; Eckhoff, Marco; Husistein, Raphael T; Teynor, Matthew S; Sora, Valentina; Bro-Jørgensen, William; Thomasen, F Emil; Krogh, Anders; Lindorff-Larsen, Kresten; Solomon, Gemma C; Weymuth, Thomas; Reiher, Markus

Magnetic Coupling in Non-Kekulé Diradical Hydrocarbons via Multiconfigurational Pair-Density Functional Theory

利用多组态对密度泛函理论研究非凯库勒双自由基烃的磁耦合

Rodrigues, Gabriel L S; Delcey, Mickael G; Solomon, Gemma C; Hedegård, Erik D; Leitherer, Susanne

Modulating Quantum Interference in Coronene-Based Molecular Junctions via Isoelectronic B-N Substitution at Selective Positions and Patterns

通过在特定位置和模式进行等电子BN取代来调节冠烯基分子结中的量子干涉

Ahmed, Raka; Leitherer, Susanne; Solomon, Gemma C

Introducing the Tutorial Manuscript Type at the ACS Au Community Journals

ACS Au 社区期刊推出教程稿件类型

Booker, Squire J; Brock, Stephanie L; Li, Xiangdong; Masson, Géraldine; Perrier, Sébastien; Ranade, Vivek V; Schaak, Raymond E; Solomon, Gemma C; Minteer, Shelley D

Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms

分子热管理的重原子解决方案:利用重原子抑制声子输运

Bro-Jørgensen, William; Bay-Smidt, Andreas Juul; Donadio, Davide; Solomon, Gemma C

Electromigration Forces on Atoms on Graphene Nanoribbons: The Role of Adsorbate-Surface Bonding

石墨烯纳米带上原子的电迁移力:吸附物-表面键合的作用

Leitherer, Susanne; Brandbyge, Mads; Solomon, Gemma C