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 2629-2640 of 9,538
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
Quantum Computations on Fusion Blanket Molten Salts
Susanta Das, Thiago J. Pinheiro Dos Santos, Subhamoy Bhowmik, Milana Bazayeva, Zhen Li, Akhil Shajan, Danil Kaliakin, Fangchun Liang, Vyacheslav S. Bryantsev, Al Geist, Abigail McClain Gomez, Thaddeus Pellegrini, Robert Walkup, Seetharami R. Seelam, Mario Motta, Kenneth M. Merz,, Thomas Beck
Quantum Computing and AI’s Role in Shaping the Future of Carbon Emissions
Yurukcu M, Nandakumar H, Khmurovich A.
Quantum Computing and Error Mitigation with Deep Learning for Frenkel Excitons
Yi-Ting Lee, Vijaya Begum-Hudde, Barbara A. Jones, André Schleife