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

Protein Electrostatics Tune the Singlet-Triplet Energy Gap in Natural and Engineered Phototropin Light-Oxygen-Voltage (LOV) Domains

蛋白质静电作用调节天然和工程化光敏素光-氧-电压(LOV)结构域中的单线态-三线态能隙

Ajagbe, Stephen O; Ghosh, Paulami; Gozem, Samer

Implementation of an Ellipsoidal-Cavity Field Correction for Computed Molecular Oscillator Strengths in Solution: A(nother) Benchmark Study

溶液中计算分子振子强度的椭球腔场校正的实现:一项(另一项)基准研究

Garcia-Alvarez, Jorge C; Gozem, Samer

Following Flavin's Vibrational Modes to Probe Anharmonicities and Low-Lying Conical Intersections

利用弗拉文振动模式探测非谐性和低能锥形交叉点

Vu, Vy; Gozem, Samer

How Thermodynamic, Electronic, and Steric Factors Influence Mesitylcopper Oligomers

热力学、电子和空间因素如何影响均三甲苯基铜低聚物

Le, D P Ngan; Stollenz, Michael; Gozem, Samer

Pro-fluorescent ethynylthiophene-based o-nitrobenzyl photolabile protecting group for hydroxamic acid synthesis

用于羟肟酸合成的基于乙炔基噻吩的荧光邻硝基苄基光敏保护基团

Campbell, Albert D Jr; Gorla, Lingaraju; Adjei-Sah, Ophelia; Williams, Blaise; Ajagbe, Stephen O; Gozem, Samer; Halim, Mohammad A; Saint-Louis, Carl Jacky

First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 Quinones

非质子溶剂中的第一和第二还原:345种醌的计算和实验单电子还原电位比较

Elhajj, Sarah; Gozem, Samer

Absorption Intensities of Organic Molecules from Electronic Structure Calculations versus Experiments: the Effect of Solvation, Method, Basis Set, and Transition Moment Gauge

有机分子吸收强度的电子结构计算与实验结果对比:溶剂化、方法、基组和跃迁矩规范的影响

Garcia-Alvarez, Jorge C; Gozem, Samer

Electronic Structure Methods for Simulating Flavin's Spectroscopy and Photophysics: Comparison of Multi-reference, TD-DFT, and Single-Reference Wave Function Methods

用于模拟黄素光谱和光物理性质的电子结构方法:多参考、TD-DFT 和单参考波函数方法的比较

Kabir, Mohammad Pabel; Ghosh, Paulami; Gozem, Samer

Solvatochromic and Aggregation-Induced Emission Active Nitrophenyl-Substituted Pyrrolidinone-Fused-1,2-Azaborine with a Pre-Twisted Molecular Geometry

具有溶剂变色和聚集诱导发光活性的硝基苯基取代的吡咯烷酮稠合-1,2-氮硼杂环丁烷,具有预扭曲的分子几何构型

Campbell, Albert D Jr; Ellis, Kaia; Gordon, Lyric K; Riley, Janiyah E; Le, VuongVy; Hollister, Kimberly K; Ajagbe, Stephen O; Gozem, Samer; Hughley, Robert B; Boswell, Adeline M; Adjei-Sah, Ophelia; Baruah, Prioska D; Malone, Ra'Nya; Whitt, Logan M; Gilliard, Robert J Jr; Saint-Louis, Carl Jacky

Alternative Strategy for Spectral Tuning of Flavin-Binding Fluorescent Proteins

黄素结合荧光蛋白光谱调谐的替代策略

Kabir, Mohammad Pabel; Ouedraogo, Daniel; Orozco-Gonzalez, Yoelvis; Gadda, Giovanni; Gozem, Samer