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 457-468 of 8,661
Clarifying NH2 + O(3P) reaction dynamics: A full-dimensional MRCI, machine-learned PES unravels high-temperature kinetics.
Xing Y, Hua W, Zuo J
Clarifying Photodetachment in Al(13)(-) Anions and Photoionization in Al(13) Neutrals Using Diffusion Monte Carlo.
Chiong MR 3rd, Nakajima A, Morikawa Y
Classical simulation of free-fermionic dynamics and quantum chemistry with magic input
Changhun Oh, Michał Oszmaniec, Oliver Reardon-Smith, Zoltán Zimborás
Classical solution of the FeMo-cofactor model to chemical accuracy and its implications
Huanchen Zhai, Chenghan Li, Xing Zhang, Zhendong Li, Seunghoon Lee, Garnet Kin-Lic Chan
Classical State Preparation for Variational Quantum Algorithms via Reinforcement Learning
Gino Kwun, Dhanvi Bharadwaj, Gokul Subramanian Ravi
Classically Driven Hybrid Quantum Algorithms with Sequential Givens Rotations for Reduced Measurement Cost
Benjamin Mokhtar, Noboru Inoue, Takashi Tsuchimochi
Clifford disentanglers for entanglement reduction in molecular electronic structure simulations
Longfei Chang, Zibo Wu, Yunzhi Li, Haiqi Liu, Jiajun Ren, Mingpu Qin, Zhendong Li, Wei-Hai Fang
Clinical evaluation of plasma neopterin as a biomarker of immune activation in allergic rhinitis using a fluorescence-based o-phthaldehyde derivatization method.
Alqahtani A, Alqahtani T, Alshehri A, Al Shmrany H, Elaidy SM
Clustering impact on the acidity of perfluorinated carboxylic acids at the air/water interface assessed within semiempirical quantum chemical approach
Elena S. Kartashynska
CO2 capture studies in DETA-1DMA2P biphasic solvent system – experimental and quantum-chemical insights
Wenwei Wu, Shuai Wang, Can Lv, Tejraj Aminabhavi, Ozge Yuksel Orhan, Helei Liu
Coarse-Grained Mapping of Fluid Particles via Evolutionary Fuzzy Clustering: Membership-Evolution Term as a Pressure Correction Mechanism.
Han J, Feng Y, Wu J, Fang H
Cobalt catalyst grafted CdTeS quantum dots on porous NiO as photocathode for H2 evolution under visible light
Jing Yang, Guangyu Huang, Hengtong Xia, Wenzhong Yang