Quantum Chemistry
382 papers from DOAJ
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 289-300 of 382
Correlation femtoscopy at NICA energies
Mikhaylov Konstantin, Batyuk Pavel, Kodolova Olga, Malinina Lyudmila, Nigmatkulov Grigory, Romanenko Gleb
Creation of new medical drugs based on TRIZ and computer mathematical modeling
B Farber, A Martynov, I Kleyn
Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper
Yifan Ye, Hao Yang, Jin Qian, Hongyang Su, Kyung-Jae Lee, Tao Cheng, Hai Xiao, Junko Yano, William A. Goddard, Ethan J. Crumlin
Entropy of human leukocyte antigen and killer-cell immunoglobulin-like receptor systems in immune-mediated disorders: A pilot study on multiple sclerosis.
Maurizio Melis, Roberto Littera, Eleonora Cocco, Jessica Frau, Sara Lai, Elena Congeddu, Paola Ragatzu, Maria Serra, Valentina Loi, Roberta Maddi, Roberta Pitzalis, Sandro Orrù, Luchino Chessa, Andrea Perra, Carlo Carcassi
Fermentative Metal – Containing Bio-Nano complexes, Quantum Chemical Models of Their Active Centers and Applications in Biotechnologies
Uvarova Ludmila, Romanova Ekaterina, Korobov Nikolai, Obukhova Elena, Krasikova Ekaterina
Halogen and Hydrogen Bonding in Halogenabenzene/NH<sub>3</sub> Complexes Compared Using Next-Generation QTAIM
Shuman Li, Tianlv Xu, Tanja van Mourik, Herbert Früchtl, Steven R. Kirk, Samantha Jenkins
Highly Efficient and Stable White Light‐Emitting Diodes Using Perovskite Quantum Dot Paper
Chieh‐Yu Kang, Chun‐Ho Lin, Chih‐Hao Lin, Ting‐You Li, Sung‐Wen Huang Chen, Chun‐Lin Tsai, Chin‐Wei Sher, Ting‐Zhu Wu, Po‐Tsung Lee, Xuezhu Xu, Maolin Zhang, Chih‐Hsiang Ho, Jr‐Hau He, Hao‐Chung Kuo
Highly efficient photocatalytic performance of Cu2O@TiO2 nanocomposite: influence of various inorganic oxidants and inorganic anions
Wagih A. Sadik, Abdel-Ghaffar M. El-Demerdash, Adel W. Nashed, Amr A. Mostafa, Hesham A. Hamad
Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations
Igor Ying Zhang, Andrew J Logsdail, Xinguo Ren, Sergey V Levchenko, Luca Ghiringhelli, Matthias Scheffler
Molecular attachment to a microscope tip: inelastic tunneling, Kondo screening, and thermopower
Rouzhaji Tuerhong, Mauro Boero, Jean-Pierre Bucher
Quantitative analysis of unconsciousness in extremely low frequency-inducing flickering light sensation
Hidenori Nakagawa, Shoogo Ueno
Synergistic Effect of Phytic Acid and Benzyltrimethyl Ammonium Bromide on Corrosion Inhibition of Carbon Steel in 0.5 M HCl
Weipeng Zhang, Zhe Zhang, Wenwu Li, Xiaodong Huang, Le Ruan, Ling Wu