Results 31 to 40 of about 8,513,580 (281)

DETERMINATION OF THE OPTIMAL CONFIGURATION OF TRIPLE CHELATE COMPLEXES OF THE ESSENTIAL TRACE ELEMENT ZINC WITH VITAMIN C AND ESSENTIAL AMINO ACIDS

Современная наука и инновации, 2023
Within the framework of this work, the optimal configuration of triple chelate complexes of the trace element zinc with vitamin C and essential amino acids was determined using computer quantum chemical modeling.
A. V. Blinov, M. A. Pirogov, A. A. Gvozdenko, Al. B. Golik, A. A. Yakovenko, A. A. Blinova   +5 more
doaj   +1 more source

Information and Statistical Measures in Classical vs. Quantum Condensed-Matter and Related Systems

Entropy, 2020
The presented editorial summarizes in brief the efforts of ten (10) papers collected by the Special Issue (SI) “Condensed-Matter-Principia Based Information & Statistical Measures: From Classical to Quantum”.
Adam Gadomski, Sylwia Zielińska-Raczyńska   +1 more
doaj   +1 more source

In situ upgrade of quantum simulators to universal computers [PDF]

, 2018
Quantum simulators, machines that can replicate the dynamics of quantum systems, are being built as useful devices and are seen as a stepping stone to universal quantum computers.
Benjamin Dive, Alexander Pitchford, Burgarth, Daniel, Florian Mintert, Daniel Burgarth, Dive, B, Mintert, Florian, Pitchford, Alexander   +7 more
core   +1 more source

Structure, Z′ = 2 Crystal Packing Features of 3-(2-Chlorobenzylidene)-5-(p-tolyl)furan-2(3H)-one

Molecules, 2021
3-(2-Chlorobenzylidene)-5-(p-tolyl)furan-2(3H)-one (1), C18H13ClO2, crystallizes with Z = 8 and Z′ = 2, and the structure at 100 K has orthorhombic (Pna21) symmetry.
Vyacheslav S. Grinev, Oksana A. Mayorova, Tatyana V. Anis’kova, Alexandra S. Tikhomolova, Alevtina Yu. Yegorova   +4 more
doaj   +1 more source

CUDA Quantum

, 2023
<p>CUDA Quantum is now available <a href="https://pypi.org/project/cuda-quantum/">on PyPI</a>! For the initial PyPI release, the NVIDIA multi-gpu and tensornet backends are not yet included. Check out our Docker images <a href="https:
The CUDA Quantum development team
core   +1 more source

Recovery of Vanadium (V) Oxyanions by a Magnetic Macroporous Copolymer Nanocomposite Sorbent

Metals, 2021
An amino-functionalized magnetic macroporous copolymer of glycidyl methacrylate (GM) and ethylene glycol (E) dimethacrylate (m-poly(GME)-deta) was synthesized, fully characterized, and used to investigate the adsorption of vanadium (V) oxyanions from ...
Ljiljana Suručić, Tamara Tadić, Goran Janjić, Bojana Marković, Aleksandra Nastasović, Antonije Onjia   +5 more
doaj   +1 more source

Discovery of Novel Liver-Stage Antimalarials through Quantum Similarity. [PDF]

PLoS ONE, 2015
Without quantum theory any understanding of molecular interactions is incomplete. In principal, chemistry, and even biology, can be fully derived from non-relativistic quantum mechanics.
David J Sullivan, Yi Liu, Bryan T Mott, Nikola Kaludov, Martin N Martinov   +4 more
doaj   +1 more source

Dynamic modeling of Terahertz Quantum cascade lasers [PDF]

, 2011
In this paper, the influence of the simplifications made in the four-equation-based set of rate equations describing the dynamic behavior of a Quantum Cascade Laser (QCL) is studied.
Petitjean, Yoann, Destic, Fabien, Mollier, Jean-Claude, Sirtori, Carlo   +3 more
core   +1 more source

When SMILES Smiles, Practicality Judgment and Yield Prediction of Chemical Reaction via Deep Chemical Language Processing

IEEE Access, 2021
Simplified Molecular Input Line Entry System (SMILES) provides a text-based encoding method to describe the structure of chemical species and formulize general chemical reactions.
Shu Jiang, Zhuosheng Zhang, Hai Zhao, Jiangtong Li, Yang Yang, Bao-Liang Lu, Ning Xia   +6 more
doaj   +1 more source

The Quantum chemical substantiation of the enrichment of dairy products with selenium-containing nanoscale systems

Современная наука и инновации
Within the framework of this work, a quantum chemical substantiation of the enrichment of dairy products with selenium-containing nanoscale systems was carried out using the quantum chemical modeling method in the IQmol molecular editor using the QChem ...
Z. A. Rekhman, M. A. Pirogov, A. V. Serov, I. M. Shevchenko, A. V. Blinov   +4 more
doaj   +1 more source