| 6267 article(s) found. Sorted by publication dates. (Help) | |
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| Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Ryoji Sahara. Unveiling the Intermolecular Interactions between Drug 5-Fluorouracil and Watson–Crick/Hoogsteen Base Pairs: A Computational Analysis. ACS Omega. 9 [23] (2024) 24831-24844 10.1021/acsomega.4c01545 Open Access | |
| Tabee Jan, Shabnam Raheem, Aamir Hanif, Gaulthier Rydzek, G. M. Peerzada, Katsuhiko Ariga, Jin Shang, Masood Ahmad Rizvi. Adsorptive avidity of Prussian blue polypyrrole nanocomposite for elimination of water contaminants: a case study of malachite green and isoniazid. Physical Chemistry Chemical Physics. 26 [23] (2024) 16802-16820 10.1039/d4cp01053a Open Access | |
| Mutsuo Igarashi, Tadashi Shimizu, Atsushi Goto, Kenjiro Hashi, Keiko Yamamichi, Takehito Nakano. Hyperfine couplings between the paramagnetic moment and nuclei in the metallic phase of low silica X zeolite loaded with potassium. Dalton Transactions. 53 [23] (2024) 9838-9843 10.1039/d4dt00599f Open Access | |
| Shuo Chen, Kaiqin Yue, Jiawei Shi, Zhicheng Zheng, Yuanqing He, Hao Wan, Gen Chen, Ning Zhang, Xiaohe Liu, Renzhi Ma. Crystal Structure Regulation of CoSe2 Induced by Fe Dopant for Promoted Surface Reconstitution toward Energetic Oxygen Evolution Reaction. Inorganic Chemistry. 63 [16] (2024) 7430-7441 10.1021/acs.inorgchem.4c00568 Open Access | |
| Kousuke Nakano, Sandro Sorella, Dario Alfè, Andrea Zen. Beyond Single-Reference Fixed-Node Approximation in Ab Initio Diffusion Monte Carlo Using Antisymmetrized Geminal Power Applied to Systems with Hundreds of Electrons. Journal of Chemical Theory and Computation. 20 [11] (2024) 4591-4604 10.1021/acs.jctc.4c00139 Open Access | |
| Alexei A. Belik. Does Ba3Bi2WO9 exist?. Journal of Molecular Structure. 1313 (2024) 138735 10.1016/j.molstruc.2024.138735 | |
| Atsushi Togo, Atsuto Seko. On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity. The Journal of Chemical Physics. 160 [21] (2024) 211001 10.1063/5.0211296 Open Access | |
| Fatin Bazilah Fauzi, Je-Deok Kim. Comprehensive studies on sulfonated octaphenyl polyhedral silsesquioxane (SPOSS) using sulfuric acid: Structural analysis and composite crosslinked SPPSU/SPOSS membranes. Journal of Membrane Science. 702 (2024) 122756 10.1016/j.memsci.2024.122756 Open Access | |
| M. Togawa, S. Fujii, M. Imura, K. Itabashi, T. Isobe, M. Miyahara, J. Nishinaga, H. Okumura. The CIGS semiconductor detector for particle physics. Journal of Instrumentation. 19 [05] (2024) C05042 10.1088/1748-0221/19/05/c05042 Open Access | |
| Aaditya Manjanath, Ryoji Sahara, Kaoru Ohno, Yoshiyuki Kawazoe. Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis. The Journal of Chemical Physics. 160 [18] (2024) 184102 10.1063/5.0202590 Open Access | |
