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 5809-5820 of 9,538
Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer
John P. Perdew, Shah Tanvir ur Rahman Chowdhury, Chandra Shahi, Aaron D. Kaplan, Duo Song, Eric J. Bylaska
Synthesis and ability to detect Fe<sup>3+</sup> ion of N-doped Graphene Quantum Dots materials
Do Van Kiem, Nguyen Tien Dung, Le Huy Nguyen, Bui Thi Lan Phuong, Hoang Nhu Van
Synthesis of Nitrogen-Doped Graphene Quantum Dots from Sucrose Carbonization
Ana Paula de Mello Rocha, Marco Isaías Alayo, Davinson Mariano da Silva
Synthesis of Some Mono- and Disaccharide-Grafting Phthalazine Derivatives and Some New Se-Nucleoside Analogues: Antibacterial Properties, Quantum Chemical Calculations, and Cytotoxicity
I. E. El-Shamy, E. Hleli, A. A. Alsheikh, M. A. Yawer, M. A. El-Hashash, J. Dybal, A. M. Abdel-Mohsen
Synthesis, characterization, molecular docking and in vitro screening of new metal complexes with coumarin Schiff base as anticholine esterase and antipancreatic cholesterol esterase agents.
Şahin Ö, Özmen Özdemir Ü, Seferoğlu N, Adem Ş, Seferoğlu Z
Synthesis, QSAR modeling, and molecular docking of novel fused 7-deazaxanthine derivatives as adenosine A(2A) receptor antagonists.
Muzychka LV, Verves EV, Yaremchuk IO, Zinchenko AM, Shishkina SV, Semenyuta IV, Hodyna DM, Metelytsia LO, Kovalishyn V, Smolii OB
Synthesis, Spectroscopic, Quantum Chemical, and Molecular Docking Studies of 2-Cyano- <i>N</i> -Cyclopropylacetamide and 2-Cyano- <i>N</i> -(1-Phenylethyl)Acetamide
Ghazala Khanum, Aysha Fatima, Rafiq Ahmad Rather, Nazia Siddiqui, Sambanthan Muthu, Sanjay Kumar Srivastava, Saleem Javed
Synthesis, structural, spectral, antioxidant, bioactivity and molecular docking investigations of a novel triazole derivative.
Alaşalvar C, Öztürk N, Gökce H, Güder A, Menteşe E, Bektaş H
Testing Koopmans spectral functionals on the analytically-solvable Hooke's atom
Yannick Schubert, Nicola Marzari, Edward Linscott
TETRIS-ADAPT-VQE: An adaptive algorithm that yields shallower, denser circuit ansätze
Panagiotis G. Anastasiou, Yanzhu Chen, Nicholas J. Mayhall, Edwin Barnes, Sophia E. Economou
The Bessel zeta function
M. G. Naber, B. M. Bruck, S. E. Costello
The Bethe-Salpeter QED wave equation for bound-state computations of atoms and molecules
Edit Mátyus, Dávid Ferenc, Péter Jeszenszki, Ádám Margócsy