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 577-588 of 8,661
Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes
Kenneth M. Merz,, Akhil Shajan, Danil Kaliakin, Fangchun Liang, Yuichi Otsuka, Tomonori Shirakawa, Lukas Broers, Han Xu, Miwako Tsuji, Mitsuhisa Sato, Seiji Yunoki, Ryo Wakizaka, Yukio Kawashima, Jun Doi, Toshinari Itoko, Hiroshi Horii, Thaddeus Pellegrini, Javier Robledo Moreno, Kevin J. Sung, Ella Fejer, Robert Walkup, Seetharami Seelam, Mario Motta
Crossover From Three‐Dimensional to Two‐Dimensional Superconducting Regime in VN Thin Films
Anish Mahavir Bhargav, Prasanta Kumar Muduli, Swati Kumari, Rajeev Sharma, Divya Prakash, Jai Tawale, Dinesh Dixit, Rajib Kumar Rakshit, Manju Singh, J. C. Biswas, Samaresh Das
Cryogenic TDS Platform for Quantitative Hydrogen Isotope (H <sub>2</sub> /D <sub>2</sub> /HD) Separation via Quantum Sieving in Porous Materials
Minji Jung, Hyunlim Kim, Michael Hirscher, Hyunchul Oh
Crystal structure, Hirshfeld surface and interaction energy analysis, and quantum chemical investigation of a heteroaryl–phenyl chalcone derivative
Ghodrat Mahmoudi, A. Aditya Prasad, Alparslan Atahan, Ahmad Badreddin Musatat, Emilia Ganczar, Sławomir Szafert, Mateusz Janeta
Crystalline nitrogen chain radical anions.
Lister-Roberts R, Galano D, van IJzendoorn B, Whitehead GFS, Brookfield A, Bowen AM, Kaltsoyannis N, Mehta M
Crystallization of the Transdimensional Electron Liquid.
Bondarev IV, Boltasseva A, Khurgin JB, Shalaev VM
Crystallization-Induced Coordination Diversity of Cu(I)-Pyridine Halide Complexes Resulting in Optical Tunability
Mariia Beliaeva, Ondřej Mrózek, Igor O. Koshevoy, Andreas Steffen, Andrey Belyaev
Crystallographic and quantum chemical methods to elucidate the structural and electronic characteristics of a Zn(II) complex
Arnab Patla, Basudeb Dutta, Aparup Paul, Ranga Subramanian, Saugata Konar
Crystallographic, spectroscopic, quantum-chemical, and Z scan analysis of an optically active NLO material (E)-N’-(4-methylbenzylidene)picolinohydrazide
D. Ramarajan, Dušan Dimić, S. Sudha
Cs <sub>3</sub> Bi <sub>2</sub> Br <sub>9</sub> Quantum Dots‐Driven Photogenerated Bromine Radical Relay Enables Efficient Cleavage of C <i> <sub>α</sub> </i> /C <i> <sub>β</sub> </i> ─O Bonds for Lignin Depolymerization
Houting Wang, Wencai Yang, Ye Wu, Jie Yang, Mingxiang Zhu, Fang Zhang
CS-[BiC-PiC]-NiCl(4): a green and effective heterogeneous catalyst for one-pot synthesis of 2,3-dihydroquinazolin-4(1H)-one derivatives.
Seyedi N, Mousapour M, Rizehbandi M, Shirini F
Cu(+)-Driven Ferroionic Structure and Pressure-Tunable Magnetism in Layered Thiophosphate CuVP(2)S(6).
Xie R, Lin Z, Cao Y, Yun C, Zhang Z, Fan S, Peng Y, Ma X, Li K, Shi C, Zhou D, Han R, Du H, Liu X, Luo Z, Yang J, Yang W