Quantum Chemistry
9,662 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 2713-2724 of 9,662
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 Topology Analysis of Covalent Interactions in the Hydration of F(-) along with the Zinc Finger of NPL4 and Its Application to the Delimitation of QM/MM Boundaries.
Bahena-Méndez CE, Saint-Martin H, McCabe C, Guevara-Vela JM, Rocha-Rinza T
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 chemical, spectroscopic, molecular docking, molecular dynamics analyses and ADMET properties: Nifedipine.
Boyraz I, Bicak B, Karaduman E, Kecel Gunduz S
Quantum chemistry based on classical mechanics inspired by simulated bifurcation
Fumihiko Aiga, Hayato Goto
Quantum Chemistry Calculations and Spectroscopic Predictions of Cyclic MgC(3)H (C(2v)) as a Candidate Molecule for Laser Cooling.
Ye Q, Li M, Zhou X, Sharma K, Liu J
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 study on the feasibility of triplet-triplet energy transfer in the dark photosensitization of DNA.
Ortuño-Martínez M, Cuéllar-Zuquin J, Roca-Sanjuán D
Quantum chemistry unifies phosphorus removal and recovery through environmental affinity
Degui Gao, Xiaofeng Wu, Yuefei Huang, Bing Li
Quantum Chemistry-Driven Molecular Inverse Design of Stable Isomers with Data-Free Reinforcement Learning.
Calcagno F, Serfilippi L, Franceschelli G, Garavelli M, Musolesi M, Rivalta I
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