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 3349-3360 of 9,538
Synthesis, Photophysical Characterization, and Anticancer Evaluation of Novel Furochromene Derivatives.
Rabahi A, Bouhenna MM, Abdeldjebar H, Baymout M, Makhloufi-Chebli M, Luyten W, Bendif H, Chaudhary AA, Elfalleh W, Garzoli S
Synthesis, quantum chemical calculations, molecular docking, dynamic simulations and ADME predictions of cyclopropylmethyl substituted indole-based hydrazones
Yashraj M. Kapadiya, Shyam N. Sadhu, Ankit S. Patel, Urvi A. Prajapati, Yash M. Khuman, Jayesh J. Maru
Synthesis, Spectroscopic, Quantum Chemical, Topological, ADMET and molecular docking studies of (E)-3-(4-methoxyphenyl)-1-(pyridin-3-yl)prop-2-en-1-one - a Chalcone Derivative
S. Sujahi, J. Daisy Magdaline, V. Shunmuga Vadivoo, K. Karpagavalli, M. Shenbaga Nandhini
Synthesis, structure and orange-light emission of a zero-dimensional antimony(III) halide with the 4,4'-(ethane-1,2-diyl)dipyridin-1-ium cation.
Li T, Li YH, Han JY, Wang YT, Han ML
Synthesizing Compound Pulse Gadgets for Hamiltonian Simulation on Trapped-Ion Platforms
Ria Patel, Masoud Hakimi Heris, Yuan Liu, Frank Mueller
System-bath model for quantum chemistry
Dmitry S. Golubev, Reza G. Shirazi, Vladimir V. Rybkin, Benedikt M. Schoenauer, Peter Schmitteckert, Michael Marthaler
Systematic investigation of solvent-dependent aggregation-induced emission in alkyl chain-bridged lignin-based amphiphilic polymers.
Hong N, Li Q
Ta(3)N(5) Nanosheets Derived from TaS(2) as Efficient Photocatalysts for Water Oxidation.
Wang F, Karade SS, Vequizo JJM, Nakabayashi M, Hisatomi T, Domen K
TabPFN Opens New Avenues for Small-Data Tabular Learning in Drug Discovery.
Chen W, Tian Y, Liao N, Deng Y, Jiang D, Cao D
Tailored Pnictogen Precursor Chemistry Enables Metal-Hydride-Free Selective Synthesis of InP <sub> 1– <i>x</i> </sub> Sb <sub> <i>x</i> </sub> Quantum Dots
Kazuhiro Nemoto, Cong Zhang, Daiki Kido, Daniel Limouchi, Masaki Takeguchi, Hong-Tao Sun, Naoto Shirahata
Tailored Spin Coupling of Single-Molecule Magnets with a Single Charge-Density-Wave Metal Layer.
Zhang C, Zhou F, Jin H, Zhou L, Dong Z, Ren M, Zhang Q, Yang H, Xu X, Ma YX, Chen L, Jung TA, Huang B, Gao HJ, Zhang Y, Wang Y
Tailored Surface Microenvironment of Molecular Nanophotocatalysts for Boosting Photocatalytic Hydrogen Evolution.
Liu X, Wang K, Huang H, Yu M, Li C, Jiang C, Gu H, Qi J, Shi G, Hu L, Chu F, Cheng S, Xie K, Li X, Chen TT, Wu Y, Song Z, Zhu WH, Zhang W