Quantum Chemistry
557 papers for year 2023
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 13-24 of 557
A combined solid-state NMR and quantum chemical calculation study of hydrogen bonding in two forms of α-d-glucose.
Brouwer DH, Mikolajewski JG
A continuous-wave and pulsed X-band electron spin resonance spectrometer operating in ultra-high vacuum for the study of low dimensional spin ensembles
Franklin H. Cho, Juyoung Park, Soyoung Oh, Jisoo Yu, Yejin Jeong, Luciano Colazzo, Lukas Spree, Caroline Hommel, Arzhang Ardavan, Giovanni Boero, Fabio Donati
A First Principles Derivation of Energy Conserving Momentum Jumps in Surface Hopping Simulations
Dorothy Miaoyu Huang, Austin T. Green, Craig C. Martens
A First-principles analysis of Structural, Electronic, Elastic, and vacant properties of BCC, FCC and HCP tungsten at different electronic temperatures
X.B. Ye, B.C. Pan
A fluorescent carbon dots synthesized at room temperature for automatic determination of nitrite in Sichuan pickles.
Zhang GQ, Shi YH, Wu W, Zhao Y, Xu ZH
A Gell-Mann & Low Theorem Perspective on Quantum Computing: New Paradigm for Designing Quantum Algorithm
Chun-Tse Li, T. Tzen Ong, Lucas Wang, Ming-Chien Hsu, Hsin Lin, Min-Hsiu Hsieh
A Hybrid Classical Quantum Computing Approach to the Satellite Mission Planning Problem
Nils Quetschlich, Vincent Koch, Lukas Burgholzer, Robert Wille
A hybrid quantum-classical fusion neural network to improve protein-ligand binding affinity predictions for drug discovery
L. Domingo, M. Chehimi, S. Banerjee, S. He Yuxun, S. Konakanchi, L. Ogunfowora, S. Roy, S. Selvaras, M. Djukic, C. Johnson
A knob to tune the Casimir-Lifshitz force with gapped metals
M. Boström, M. Rizwan Khan, H. R. Gopidi, I. Brevik, Y. Li, C. Persson, O. I. Malyi
A Linearized Semiclassical dynamics study of the multi-quantum vibrational relaxation of NO scattering from a Au(111) Surface
Shreyas Malpathak, Nandini Ananth
A new (13)C trityl-based spin label enables the use of DEER for distance measurements.
Hasanbasri Z, Poncelet M, Hunter H, Driesschaert B, Saxena S
A novel and ultrasensitive fluorescent probe derived from labeled carbon dots for recognitions of copper ions and glyphosate.
Fu Z, He J, Li Y, Ding H, Gao X, Cui F