Quantum Chemistry

9,538 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 5749-5760 of 9,538

Quantum logic control and precision measurements of molecular ions in a ring trap -- a new approach for testing fundamental symmetries

Yan Zhou, Joshua O. Island, Matt Grau

2022 arXiv arXiv preprint

Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase

Hao Jiang, Oskar K. G. Svensson, Ulf Ryde

2022 Crossref Molecules

Quantum mechanical, virtual screening, molecular docking, molecular dynamics, ADME and antimicrobial activity studies of some new indole-hydrazone derivatives as potent agents against E. faecalis.

Erol M, Celik I, Ince U, Fatullayev H, Uzunhisarcikli E, Puskullu MO

2022 PubMed Journal of biomolecular structure & dynamics

Quantum Monte Carlo study of three-dimensional Coulomb complexes: trions and biexcitons; hydrogen molecules and ions; helium hydride cations; and positronic and muonic complexes

F Marsusi, E. Mostaani, N. D. Drummond

2022 arXiv arXiv preprint

Quantum nonlinear planar Hall effect in bilayer graphene: An orbital effect of a steady in-plane magnetic field

N. Kheirabadi, A. Langari

2022 Crossref Physical Review B

Quantum Simulation of Preferred Tautomeric State Prediction

Yu Shee, Tzu-Lan Yeh, Jen-Yueh Hsiao, Ann Yang, Yen-Chu Lin, Min-Hsiu Hsieh

2022 arXiv arXiv preprint

Quantum skyrmion crystals and the symmetry energy of dense matter

Christoph Adam, Alberto García Martín-Caro, Miguel Huidobro, Ricardo Vázquez, Andrzej Wereszczynski

2022 Crossref Physical Review D

Quantum Yoga: Achieving Wholeness in Psychotherapy

University of Technology, Jaipur, Rajasthan, India, Onisor Valentina, Amit Goswami, University of Technology, Jaipur , Rajasthan, India

2022 Crossref International Journal of Psychology and Neuroscience

Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCI

Julia Brüggemann, Mario Wolter, Christoph R. Jacob

2022 Crossref The Journal of Chemical Physics

Quantum-Chemical Modeling of Hydrosilylation Reaction of Triethoxysilane to Divinylbenzene

Ivane Javakhishvili Tbilisi State University, Department of Macromolecular Chemistry, I. Chavchavadze Ave., 1, Tbilisi 0179, Georgia, Omar Mukbaniani, Institute of Macromolecular Chemistry and Polymeric Materials, Ivane Javakhishvili Tbilisi State University, University St., 13, Tbilisi 0186, Georgia, Tamara Tatrishvili, Ivane Javakhishvili Tbilisi State University, Department of Macromolecular Chemistry, I. Chavchavadze Ave., 1, Tbilisi 0179, Georgia, Institute of Macromolecular Chemistry and Polymeric Materials, Ivane Javakhishvili Tbilisi State University, University St., 13, Tbilisi 0186, Georgia, Zurab Pachulia, Sokhumi State University, Faculty of Natural Sciences, Mathematics, Technologies and Pharmacy, Politkovskaya St., 61, Tbilisi, 0186, Georgia, Levan Londaridze, Ivane Javakhishvili Tbilisi State University, Department of Macromolecular Chemistry, I. Chavchavadze Ave., 1, Tbilisi 0179, Georgia, Nana Pirtskheliani, Institute of Macromolecular Chemistry and Polymeric Materials, Ivane Javakhishvili Tbilisi State University, University St., 13, Tbilisi 0186, Georgia, Sokhumi State University, Faculty of Natural Sciences, Mathematics, Technologies and Pharmacy, Politkovskaya St., 61, Tbilisi, 0186, Georgia

2022 Crossref Chemistry & Chemical Technology

Quantum-holistic categories of social communications

REC ", Oleksandr Kholod, SUCCESSFUL"

2022 Crossref Social Communications: Theory and Practice

Quantum-Inspired Tempering for Ground State Approximation using Artificial Neural Networks

Tameem Albash, Conor Smith, Quinn Campbell, Andrew D. Baczewski

2022 arXiv arXiv preprint