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

Extensions to Extended Tight-Binding Methods for Transition-Metal Containing Systems

过渡金属体系扩展紧束缚方法的扩展

Moradi, Siyavash; Tomann, Rebecca; Head-Gordon, Martin; Stein, Christopher J

Can Charge Transfer Across C─H⋅⋅⋅O Hydrogen Bonds Stabilize Oil Droplets in Water?

电荷转移能否通过C─H⋅⋅⋅O氢键稳定水中的油滴?

Zhao, Ruoqi; Shen, Hengyuan; LaCour, R Allen; Heindel, Joseph P; Head-Gordon, Martin; Head-Gordon, Teresa

Mechanistic Studies of Oxidative Degradation in Diamine-Appended Metal-Organic Frameworks Exhibiting Cooperative CO(2) Capture

对具有协同CO(2)捕获能力的二胺修饰金属有机框架的氧化降解机理研究

Xiong, Shuoyan; Sterling, Alistair J; Tkachenko, Nikolay V; Reyes, Rhea-Donna; Tsai, Hsinhan; Lee, Jaeheon; Chen, Yu; Wang, Yang; Dods, Matthew N; Lu, David; Zhu, Ziting; Börgel, Jonas; Kim, Jeong Won; Schmeiser, Abigail J; Meng, Junyang; Furukawa, Hiroyasu; Peters, Aaron W; McCloskey, Bryan D; Reimer, Jeffrey A; Weston, Simon C; Head-Gordon, Martin; Long, Jeffrey R

Structural Evidence of Interanionic Hydrogen Bonding in Phosphoric Acid Solutions

磷酸溶液中阴离子间氢键的结构证据

Kim, Pyeongeun; Kang, Richard; Carter-Fenk, Kevin; Wilson, Kevin R; Head-Gordon, Martin; Ahmed, Musahid

Regioisomeric Engineering for Multicharge and Spin Stabilization in Two-Electron Organic Catholytes

双电子有机阴极电解液中多电荷和自旋稳定的区域异构体工程

Chung, H T Katie; Schramm, Tim K; Head-Gordon, Martin; Shee, James; Toste, F Dean

Beyond real: alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers

超越现实:用于近期量子计算机分子电子结构计算的替代性幺正簇Jastrow模型

Tkachenko, Nikolay V; Ren, Hang; Billings, Wendy M; Tomann, Rebecca; Whaley, K Birgitta; Head-Gordon, Martin

Gold-Standard Chemical Database 137 (GSCDB137): A Diverse Set of Accurate Energy Differences for Assessing and Developing Density Functionals

黄金标准化学数据库 137 (GSCDB137):用于评估和开发密度泛函的各种精确能量差集

Liang, Jiashu; Head-Gordon, Martin

Enhanced RNA replication and pathogenesis in recent SARS-CoV-2 variants harboring the L260F mutation in NSP6.

携带 NSP6 中 L260F 突变的近期 SARS-CoV-2 变种增强了 RNA 复制和致病性

Taha Taha Y, Ezzatpour Shahrzad, Hayashi Jennifer M, Ye Chengjin, Zapatero-Belinchón Francisco J, Rosecrans Julia A, Kimmerly Gabriella R, Chen Irene P, Walcott Keith, Kurianowicz Anna, Jorgens Danielle M, Chaplin Natalie R, Choi Annette, Buchholz David W, Sahler Julie, Hilt Zachary T, Imbiakha Brian, Vagi-Szmola Cecilia, Montano Mauricio, Stevenson Erica, Gordon Martin, Swaney Danielle L, Krogan Nevan J, Whittaker Gary R, Martinez-Sobrido Luis, Aguilar Hector C, Ott Melanie

DNA reference reagents isolate biases in microbiome profiling: a global multi-lab study

DNA参考试剂可消除微生物组分析中的偏差:一项全球多实验室研究

Anwar, Saba; Lamaudiere, Matthew; Hassall, Jack; Dehinsilu, Jacob; Bhuller, Ravneet K; Hold, Georgina L; Vázquez-Campos, Xabier; Mahnert, Alexander; Moissl-Eichinger, Christine; Gallé, Birgit; Kainz, Gudrun; Pjevac, Petra; Hausmann, Bela; Schwarz, Jasmin; Kohl, Gudrun; Berry, David; Vancuren, Sarah J; Allen-Vercoe, Emma; Nielsen, Nynne; Sørensen, Nikolaj; Eklund, Aron; Nielsen, Henrik Bjørn; Riedel, René; Krause, Jannike Lea; Chang, Hyun-Dong; Park, Suenie; Song, Ho-Yeon; Seo, Hoonhee; Ul-Haq, Asad; Kim, Sukyung; Kwon, Yongbin; Park, Sunwha; Soberon, Xavier; Silva-Herzog, Eugenia; Verlouw, Joost A M; Arp, Pascal; Jhamai, Mila; Kraaij, Robert; Geelen, Anoecim R; Ducarmon, Quinten R; Smits, Wiep Klaas; Kuijper, Ed J; Zwittink, Romy D; van Best, Niels; Penders, John; Le, Giang; Driessen, Christel; Kool, Jolanda; Shetty, Sudarshan A; Fuentes, Susana; Demirci, Mehmet; Yigin, Akin; Whalley, Celina; Beggs, Andrew D; Quince, Christopher; James, Rob; Raguideau, Sebastien; Gordon, Martin; Mate, Ryan; Fritzsche, Martin; Danckert, Nathan P; Blanco, Jesus Miguens; Marchesi, Julian R; Rauch, Marcus; Williamson, R Anthony; Van't Wout, Angélique B; Kritz, Angelika; Rosecker, Stephan; Stevens, Richard; Laws, Lynette; Sayavedra, Lizbeth; Romano, Stefano; Telatin, Andrea; Baker, David; Narbad, Arjan; Servetas, Stephanie L; Kralj, Jason G; Forry, Samuel P; Hunter, Monique E; Dootz, Jennifer N; Jackson, Scott A; Mason, Christopher E; Butler, Daniel J; Mozsary, Christopher; Foox, Jonathan; Damle, Namita; Resh, Aidan; Busswitz, Amanda; Lenz, Peter; Sontag, Shane; Cross, Andrew; Sanchez, Christian; Guo, Mingsheng; Olson, Kayla; Smith, Eric A; La Reau, Alex J; Ward, Tonya; Kuersten, Scott; Hyde, Fred; Khrebtukova, Irina; Schroth, Gary; Rijpkema, Sjoerd; Amos, Gregory C A; Sergaki, Chrysi

Malaria exposure remodels the plasma proteome of Ghanaian children

疟疾暴露会重塑加纳儿童的血浆蛋白质组

Mohammed, Aisha M; Olwal, Charles Ochieng'; Fossati, Andrea; Nyakoe, Nancy K; Fabius, Jacqueline M; Gordon, Martin; Polacco, Benjamin J; Swaney, Danielle L; Awandare, Gordon A; Krogan, Nevan J; Bouhaddou, Mehdi; Bediako, Yaw