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• Select New Computational and Theoretical Chemistry Findings from Department of Physics Reported (Insights Into Weak and Covalent Interactions, Reactivity Sites and Pharmacokinetic Studies of 4-dimethylaminopyridinium Salicylate Monohydrate Using ...)

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  New Computational and Theoretical Chemistry Findings from Department of Physics Reported (Insights Into Weak and Covalent Interactions, Reactivity Sites and Pharmacokinetic Studies of 4-dimethylaminopyridinium Salicylate Monohydrate Using ...)

  From:Obesity, Fitness & Wellness Week

  Dec. 18, 2021407 words Report, Brief articl... 1510L2021 DEC 18 (NewsRx) -- By a News Reporter-Staff News Editor at Obesity, Fitness & Wellness Week -- Fresh data on Chemistry - Computational and Theoretical Chemistry are presented in a new report. According to news...
• Select Researchers' Work from University of Sao Paulo Focuses on Computational and Theoretical Chemistry (Synthetic Fentanyls Evaluation and Characterization By Infrared Spectroscopy Employing In Silico Methods).

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  Researchers' Work from University of Sao Paulo Focuses on Computational and Theoretical Chemistry (Synthetic Fentanyls Evaluation and Characterization By Infrared Spectroscopy Employing In Silico Methods).

  From:Obesity, Fitness & Wellness Week

  Nov. 6, 2021431 words Article 1350L2021 NOV 6 (NewsRx) -- By a News Reporter-Staff News Editor at Obesity, Fitness & Wellness Week -- Data detailed on Chemistry - Computational and Theoretical Chemistry have been presented. According to news reporting...
• Select New Theoretical Chemistry Study Findings Have Been Reported by Investigators at Kyoto University (From Quantum Similarity Measures To Quantum Analogy Functors: Tools for Qshar, Quantitative Shape-activity Relations).

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  New Theoretical Chemistry Study Findings Have Been Reported by Investigators at Kyoto University (From Quantum Similarity Measures To Quantum Analogy Functors: Tools for Qshar, Quantitative Shape-activity Relations).

  From:Obesity, Fitness & Wellness Week

  June 19, 2021376 words Brief article 1650L2021 JUN 19 (NewsRx) -- By a News Reporter-Staff News Editor at Obesity, Fitness & Wellness Week -- Data detailed on Chemistry - Theoretical Chemistry have been presented. According to news reporting from Kyoto, Japan,...
• Select Investigators at Bose Institute Report Findings in Theoretical Chemistry (Tautomeric Effect of Guanine On Stability, Spectroscopic and Absorbance Properties In Cytosine-guanine Base Pairs: a Dft and Td-dft Perspective).

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  Investigators at Bose Institute Report Findings in Theoretical Chemistry (Tautomeric Effect of Guanine On Stability, Spectroscopic and Absorbance Properties In Cytosine-guanine Base Pairs: a Dft and Td-dft Perspective).

  From:Obesity, Fitness & Wellness Week

  Mar. 28, 2020489 words Article 1460L2020 MAR 28 (NewsRx) -- By a News Reporter-Staff News Editor at Obesity, Fitness & Wellness Week -- Current study results on Chemistry - Theoretical Chemistry have been published. According to news reporting originating...
• Select New Findings on Theoretical Chemistry Described by Investigators at Benemerita University Autonoma of Puebla [Theoretical Study of the Stability and Nmr Spectroscopic Properties of Vanadium(V) Complexes].

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  New Findings on Theoretical Chemistry Described by Investigators at Benemerita University Autonoma of Puebla [Theoretical Study of the Stability and Nmr Spectroscopic Properties of Vanadium(V) Complexes].

  From:Obesity, Fitness & Wellness Week

  Nov. 9, 2019627 words Report 1450L2019 NOV 9 (NewsRx) -- By a News Reporter-Staff News Editor at Obesity, Fitness & Wellness Week -- Research findings on Chemistry - Theoretical Chemistry are discussed in a new report. According to news reporting...
• Select Spectrum of prism graph and relation with network related quantities.

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  Spectrum of prism graph and relation with network related quantities.

  Authors:Ali Raza, Mobeen Munir, Tasawar Abbas, Sayed M. Eldin, and Ilyas KhanFrom:AIMS Mathematics (Vol. 8, Issue 2) Peer-Reviewed

  Feb. 20233,829 words Article 1620LSpectra of network related graphs have numerous applications in computer sciences, electrical networks and complex networks to explore structural characterization like stability and strength of these different real-world...
• Select Early theoretical chemistry: Plato's chemistry in Timaeus.

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  Early theoretical chemistry: Plato's chemistry in Timaeus.

  Author:Francesco Di GiacomoFrom:Foundations of Chemistry (Vol. 23, Issue 1) Peer-Reviewed

  Apr. 20217,022 words Article 1380LThe Timaeus is the dialogue that was for many centuries the most influential of Plato's works. Among its readers we find Descartes, Boyle, Kepler and Heisenberg. In the first division of Timaeus Plato deals with the...
• Select Study Results from Murdoch University Update Understanding of Theoretical Chemistry (The Mechanism of Electrophilic Addition of Singlet Oxygen To Pyrrolic Ring)

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  Study Results from Murdoch University Update Understanding of Theoretical Chemistry (The Mechanism of Electrophilic Addition of Singlet Oxygen To Pyrrolic Ring)

  From:Obesity, Fitness & Wellness Week

  July 13, 2019426 words Report 1370L2019 JUL 13 (NewsRx) -- By a News Reporter-Staff News Editor at Obesity, Fitness & Wellness Week -- Fresh data on Chemistry - Theoretical Chemistry are presented in a new report. According to news reporting originating...
• Select Data on Theoretical Chemistry Reported by Researchers at Laboratorio Virtual NANOCOSMOS (Computational Prediction of Bioactivity Scores and Chemical Reactivity Properties of the Parasin I Therapeutic Peptide of Marine Origin Through the ...)

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  Data on Theoretical Chemistry Reported by Researchers at Laboratorio Virtual NANOCOSMOS (Computational Prediction of Bioactivity Scores and Chemical Reactivity Properties of the Parasin I Therapeutic Peptide of Marine Origin Through the ...)

  From:Obesity, Fitness & Wellness Week

  June 29, 2019466 words Report 1730L2019 JUN 29 (NewsRx) -- By a News Reporter-Staff News Editor at Obesity, Fitness & Wellness Week -- Research findings on Chemistry - Theoretical Chemistry are discussed in a new report. According to news reporting from...
• Select Computing the Entropy Measures for the Line Graphs of Some Chemical Networks.

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  Computing the Entropy Measures for the Line Graphs of Some Chemical Networks.

  Authors:Muhammad Farhan Hanif, Hasan Mahmood, Shazia Manzoor, and Fikre Bogale PetrosFrom:Computational Intelligence and Neuroscience (Vol. 2022) Peer-Reviewed

  Oct. 6, 20225,578 words Article 1110LChemical Graph entropy plays a significant role to measure the complexity of chemical structures. It has explicit chemical uses in chemistry, biology, and information sciences. A molecular structure of a compound...
• Select Recent Findings in Computational and Theoretical Chemistry Described by Researchers from Shanxi Medical University (The Theoretical Investigation On the Properties of Fluorine-substituted Uracil)

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  Recent Findings in Computational and Theoretical Chemistry Described by Researchers from Shanxi Medical University (The Theoretical Investigation On the Properties of Fluorine-substituted Uracil)

  From:Obesity, Fitness & Wellness Week

  June 8, 2019397 words Report 1620L2019 JUN 8 (NewsRx) -- By a News Reporter-Staff News Editor at Obesity, Fitness & Wellness Week -- Investigators publish new report on Chemistry - Computational and Theoretical Chemistry. According to news reporting...
• Select Maximal first Zagreb index of trees with given Roman domination number.

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  Maximal first Zagreb index of trees with given Roman domination number.

  Authors:Zhibin Du, Ayu Ameliatul Shahilah Ahmad Jamri, Roslan Hasni, and Doost Ali MojdehFrom:AIMS Mathematics (Vol. 7, Issue 7) Peer-Reviewed

  July 20224,809 words Article 1570LThe first Zagreb index of graphs is defined to be the sum of squares of degrees of all the vertices of graphs. It drew a great deal of attention in the past half-century. In this paper, we study the relationship between...
• Select Findings from B. Gomez et al in Theoretical Chemistry Reported [Effect of substituents on 3(S)-amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one: a DFT study]

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  Findings from B. Gomez et al in Theoretical Chemistry Reported [Effect of substituents on 3(S)-amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one: a DFT study]

  From:Obesity, Fitness & Wellness Week

  Feb. 2, 2019404 words Article 1220L2019 FEB 2 (NewsRx) -- By a News Reporter-Staff News Editor at Obesity, Fitness & Wellness Week -- Data detailed on Chemistry - Theoretical Chemistry have been presented. According to news reporting originating from...
• Select Ultrafast dynamics with the exact factorization.

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  Ultrafast dynamics with the exact factorization.

  Authors:Federica Agostini and E. K. U. GrossFrom:The European Physical Journal B - Condensed Matter and Complex Systems (Vol. 94, Issue 9) Peer-Reviewed

  Sept. 202110,083 words Report 1620LThe exact factorization of the time-dependent electron-nuclear wavefunction has been employed successfully in the field of quantum molecular dynamics simulations for interpreting and simulating light-induced ultrafast...
• Select Revan Sombor indices: Analytical and statistical study.

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  Revan Sombor indices: Analytical and statistical study.

  Authors:V.R. Kulli, J.A. Mendez-Bermudez, Jose M. Rodriguez, and Jose M. SigarretaFrom:Mathematical Biosciences and Engineering (Vol. 20, Issue 2) Peer-Reviewed

  Feb. 20235,970 words Report 1750LIn this paper, we perform analytical and statistical studies of Revan indices on graphs G: R(G) = [[SIGMA].sub.uv[member of]E(G)] F(ru, [r.sub.v]), where uv denotes the edge of G connecting the vertices u and v,...
• Select Comparison of methods for quantitative biomolecular interaction analysis.

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  Comparison of methods for quantitative biomolecular interaction analysis.

  Authors:Monika Conrad, Peter Fechner, Günther Proll, and Günter GauglitzFrom:Analytical and Bioanalytical Chemistry (Vol. 414, Issue 1) Peer-Reviewed

  Jan. 20228,522 words Report 1520LIn order to perform good kinetic experiments, not only the experimental conditions have to be optimized, but the evaluation procedure as well. The focus of this work is the in-depth comparison of different approaches and...
• Select Parallelized label-free monitoring of cell adhesion on extracellular matrix proteins measured by single colour reflectometry.

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  Parallelized label-free monitoring of cell adhesion on extracellular matrix proteins measured by single colour reflectometry.

  Authors:Johanna Hutterer, Günther Proll, Peter Fechner, and Günter GauglitzFrom:Analytical and Bioanalytical Chemistry (Vol. 414, Issue 1) Peer-Reviewed

  Jan. 20226,351 words Report 1510LThe understanding of the initial cell adhesion to biomaterials is crucial for the survival of implants. The manifold possibilities to tailor an implant surface and the diverse requirements for different implant...
• Select Observation of charged droplets from electrospray ionization (ESI) plumes in API mass spectrometers.

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  Observation of charged droplets from electrospray ionization (ESI) plumes in API mass spectrometers.

  Authors:Clara Markert, Marco Thinius, Laura Lehmann, Chris Heintz, Florian Stappert, Walter Wissdorf, et al.From:Analytical and Bioanalytical Chemistry (Vol. 413, Issue 22) Peer-Reviewed

  Sept. 20218,528 words Report 1470LElectrospray ionization (ESI) generates bare analyte ions from charged droplets, which result from spraying a liquid in a strong electric field. Experimental observations available in the literature suggest that at least...
• Select Edge modified phosphorene nanoribbon heterojunctions: promising metal-free photocatalysts for direct overall water splitting.

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  Edge modified phosphorene nanoribbon heterojunctions: promising metal-free photocatalysts for direct overall water splitting.

  Authors:Zhijun Yi, Meng Wu, and Ran JiaFrom:Journal of Materials Science (Vol. 57, Issue 9) Peer-Reviewed

  Mar. 20227,745 words Article 1540LPrecisely tuning the electronic structure of material and the proper prediction of its band energy alignments play key roles on the design of photocatalyst for direct overall water splitting. For low dimensional...
• Select Artificial vs. human intelligence in analytics.

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  Artificial vs. human intelligence in analytics.

  Author:Günter GauglitzFrom:Analytical and Bioanalytical Chemistry (Vol. 411, Issue 22) Peer-Reviewed

  Sept. 2019976 words Editorial 1360LAuthor(s): Günter Gauglitz 1 Author Affiliations: (Aff1) 0000 0001 2190 1447, grid.10392.39, Institute of Physical and Theoretical Chemistry, Eberhard Karls Universität, , Auf der Morgenstelle 18, 72076, Tübingen,...