Quantum Chemistry
1,370 papers from Crossref
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 469-480 of 1,370
Quantum chemical investigations of electronic properties, chemical reactivity, FTIR, thermodynamic behaviors and biological activity for some novel quercetin derivatives
Noha A. Saleh, Bushra M.D. Mansoor, A. Alkhaldi, Munirah A. Almessiere
Quantum chemical modeling of zirconium complexes: methanesulfonate, carbonate, chloride, and sulfate
О.О. Pasenko, Y.S. Osokin
Quantum chemical study on molecular structure, chemical reactivity, MEP, NLO and charge analysis of new quinoxaline-linked-1,2,4-triazole-sulfonamide
Nallapu Mallla Reddy, Gaddam Ramesh Reddy, Jeyanthi Arasan, Byru Venkatram Reddy
Quantum chemical theoretical study on the reaction mechanisms of model compound cellobiose into furfural and dehydration reaction
Kaizheng Wang, Feipeng Wang, Jian Li, Zhengyong Huang
Quantum Chemical, Spectroscopic, Biological and Molecular Simulation Evaluation of N-(4-Methyl-2-pyridyl)acetamide as COX-2 Targeting Anti-Inflammatory Agent
V. Gokila, K. Karpagavalli, K. Raju, R. Aswini, S. Selvakumar, P. Manikandan
Quantum chemistry elucidation of deep eutectic solvent–curcumin interactions: From extraction efficiency to molecular mechanisms
Hao Liang, Yulin Wang, Yanhong Bi, Taoyun Wang, Lijuan Zhang, Yaoyu Hu, Junjie Guo, Zhaoyu Wang
Quantum Chemistry Study of Luminescence Quenching in the Eu <sup>3+</sup> @ <scp>UiO</scp> ‐67 Sensor Induced by Ag <sup>+</sup> Ions
Yoslainy Echevarria‐Valdés, Yoan Hidalgo‐Rosa, Eduardo Schott, Mario Saavedra‐Torres, Dayán Páez‐Hernández, Ximena Zarate
Quantum chemistry unifies phosphorus removal and recovery through environmental affinity
Degui Gao, Xiaofeng Wu, Yuefei Huang, Bing Li
Quantum Coherence in a Perylene-Based Metal–Organic Framework for Potential Solid-State Qubits
Chanchal Rani, Hochul Woo, Elizabeth Goodson, Juan S. Sandoval, Jonathan R. Palmer, Leila M. Foroughi, Adam J. Matzger, Michael R. Wasielewski, Theodore Goodson
Quantum Computing for Molecular Systems
Harshdeep Singh, Sonjoy Majumder, Sabyashachi Mishra
Quantum confined one-dimensional lepidocrocite titanate catalyst for superior electrocatalytic oxygen evolution performance
Devraj Singh, Mohamed A. Ibrahim, Aidan McMoil, Gregory R. Schwenk, Joshua Snyder, Michel W. Barsoum
Quantum correlations in molecular cavity optomechanics
E. Kongkui Berinyuy, D.R. Kenigoule Massembele, P. Djorwé, R. Altuijri, S. Abdel-Khalek, A.-H. Abdel-Aty, S.G. Nana Engo