Quantum Chemistry
8,661 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 1981-1992 of 8,661
Pyrenoids A-P: Ring-Rearranged Tropolonic Sesquiterpenoids with Anti-Neuroinflammatory Effects from the Marine Mesophotic Sponge-Associated Fungus Pyrenochaeta sp. NBUF199.
Lai C, Tian J, Zheng Q, Huang S, Zhang R, Liu R, Wu B, Lin W, He S, Wang W, Yan P, Wang T
Pyridinic nitrogen-anchored Co3O4 quantum dots for efficient peroxymonosulfate activation and sulfamethoxazole degradation
Feng Wang, Geng Liu, Haoqing Zhang, Beibei Guan, Yuye Hao, Bingjiang An, Lanying Zhu, Wenxin Jing, Xiaoqiang An
QDCRNet: Quantum dilated convolutional recurrent network for virus detection using gene expression data.
Karthi S, Ramalingam T, Iyswarya R, Kumar DA
QDK/Chemistry: A Modular Toolkit for Quantum Chemistry Applications
Nathan A. Baker, Brian Bilodeau, Chi Chen, Yingrong Chen, Marco Eckhoff, Alexandra Efimovskaya, Piero Gasparotto, Puck van Gerwen, Rushi Gong, Kevin Hoang, Zahra Hooshmand, Andrew J. Jenkins, Conrad S. N. Johnston, Run R. Li, Jiashu Liang, Hongbin Liu, Alexis Mills, Maximilian Mörchen, George Nishibuchi, Chong Sun, Bill Ticehurst, Matthias Troyer, Jan P. Unsleber, Stefan Wernli, David B. Williams-Young, Boqin Zhang
QM/MM Modeling of the Electronic Structure and Properties of the Fe-S Clusters in Desulfovibrio desulfuricans [FeFe]-Hydrogenase.
Rovaletti A, Wu-Lu M, Arrigoni F, De Gioia L, Ryde U, Greco C, Bertini L
QM/MM study of the catalytic reaction of potato epoxide hydrolase.
Dehabadi MH, Ryde U, Irani M
QMCkl: A kernel library for quantum Monte Carlo applications.
Slootman E, Chilkuri VG, Delval A, Hoffer M, Gorni T, Coppens F, van de Nes J, Panadés-Barrueta RL, Posenitskiy E, Ammar A, Landinez Borda EJ, Camus K, Kohulàk O, Giner E, de Oliveira Castro P, Valensi C, Jalby W, Filippi C, Scemama A
QMeCha: Quantum Monte Carlo package for fermions in embedding environments.
Barborini M, Charry J, Ditte M, Leventis A, Kafanas G, Tkatchenko A
Quality control of traditional Chinese medicine solid preparation Zhizi Jinhua Pills via FT-IR, UV and THz fingerprints assisted with dissolution.
Wang X, Zou K, Li P, Zhu W, Cui H, Xiao L, Lan L, Sun G
Quantification of dual-state 5-ALA-induced PpIX fluorescence: methodology and validation in tissue-mimicking phantoms.
Segaud S, Budd C, Elliot M, Stasiuk G, Shapey J, Xie Y, Vercauteren T
Quantifying and Engineering Electric Fields in Liver Alcohol Dehydrogenase.
Eze JC, Gascón JA
Quantifying cerebellar signal detectability in MEG and EEG in epilepsy using anatomically informed source modeling.
Matsubara T, Sohrabpour A, Ahlfors SP, Jas M, Samuelsson J, Sundaram P, Stufflebeam S