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收藏分享 收藏 分享 收藏 Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field
D'Amore, Lorenzo; Hahn, David F.; Dotson, David L.; Horton, Joshua T.; Anwar, Jamshed; Craig, Ian; Fox, Thomas; Gobbi, Alberto; Lakkaraju, Sirish Kaushik; Lucas, Xavier; Meier, Katharina; Mobley, David L.; Narayanan, Arjun; Schindler, Christina E. M.; Swope, William C.; in't Veld, Pieter J.; Wagner, Jeffrey; Xue, Bai; Tresadern, Gary 分享 收藏 Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at ScaleHorton, Joshua T.; Boothroyd, Simon; Wagner, Jeffrey; Mitchell, Joshua A.; Gokey, Trevor; Dotson, David L.; Behara, Pavan Kumar; Ramaswamy, Venkata Krishnan; Mackey, Mark; Chodera, John D.; Anwar, Jamshed; Mobley, David L.; Cole, Daniel J. 分享 收藏 分享 收藏 分享 收藏 Investigations on Anticancer Potentials by DNA Binding and Cytotoxicity Studies for Newly Synthesized and Characterized Imidazolidine and Thiazolidine-Based Isatin DerivativesArshad, Nasima; Mir, Muhammad Ismail; Perveen, Fouzia; Javed, Aneela; Javaid, Memona; Saeed, Aamer; Channar, Pervaiz Ali; Farooqi, Shahid Iqbal; Alkahtani, Saad; Anwar, Jamshed 分享 收藏 Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs量子化学通用驱动程序和数据库 (QCDB) 和量子化学引擎 (QCEngine): 计算化学程序之间的自动化和互操作性Smith, Daniel G. A.; Lolinco, Annabelle T.; Glick, Zachary L.; Lee, Jiyoung; Alenaizan, Asem; Barnes, Taylor A.; Borca, Carlos H.; Di Remigio, Roberto; Dotson, David L.; Ehlert, Sebastian; Heide, Alexander G.; Herbst, Michael F.; Hermann, Jan; Hicks, Colton B.; Horton, Joshua T.; Hurtado, Adrian G.; Kraus, Peter; Kruse, Holger; Lee, Sebastian J. R.; Misiewicz, Jonathon P.; Naden, Levi N.; Ramezanghorbani, Farhad; Scheurer, Maximilian; Schriber, Jeffrey B.; Simmonett, Andrew C.; Steinmetzer, Johannes; Wagner, Jeffrey R.; Ward, Logan; Welborn, Matthew; Altarawy, Doaa; Anwar, Jamshed; Chodera, John D.; Dreuw, Andreas; Kulik, Heather J.; Liu, Fang; Martinez, Todd J.; Matthews, Devin A.; Schaefer, Henry F., III; Sponer, Jiri; Turney, Justin M.; Wang, Lee-Ping; De Silva, Nuwan; King, Rollin A.; Stanton, John F.; Gordon, Mark S.; Windus, Theresa L.; Sherrill, C. David; Burns, Lori A. 分享 收藏 Contemporary systematics of vadose zone nitrate capture by speleothem carbonateWynn, P. M.; Ambler, S.; Grefe, I.; Soto, D. X.; Surridge, B. W. J.; Gabitov, R. I.; Barker, P. A.; Anwar, J.; Quin, A.; Pereira, M. G.; Grant, H. K. 分享 收藏 分享 收藏 分享 收藏 分享 收藏 CD-MOFs Crystal Transformation from Dense to Highly Porous Form for Efficient Drug LoadingDing, Huanyu; Wu, Li; Guo, Tao; Zhang, Zaiyong; Garba, Bello Mubarak; Gao, Ge; He, Siyu; Zhang, Wei; Chen, Yizhi; Lin, Yangjing; Liu, Hewen; Anwar, Jamshed; Zhang, Jiwen 分享 收藏 分享 收藏 分享 收藏 分享 收藏 分享 收藏 分享 收藏 分享 收藏 
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