Sage Journals: Discover world-class research

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Research article

First published 2018-2

Schiff-base derivatives as corrosion inhibitors for carbon steel materials in acid media: Quantum chemical calculations

Hong Ju, Xia Li, Ning Cao [...]

Corrosion Engineering,Science and Technology: The International Journal of Corrosion Processes and Corrosion Control

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Research article

First published 2017-3

Quantum chemical calculation of NIR spectra of practical materials

Christian W Huck, Krzysztof B Beć, Justyna Grabska [...]

NIR news

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Research article

First published 1999-12

Molecular Design of Rigid-Chain Polyheteroarylenes and the Effect of Substituents at the Central Heterocyclic Fragment on the Polyheteroarylene Equilibrium Rigidity

Inga A Ronova, Igor I Ponomarev, Andrey Yu Kovalevsky [...]

High Performance Polymers

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Research article

First published 2011-1

QSAR and quantum chemical studies on the inhibition potentials of some amino acids for the corrosion of mild steel in H 2 SO 4

Nnabuk O. Eddy, Udo J. Ibok, Benedict I. Ita

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 1997-6

Throwing Light on Molecules Falling Apart: Photofragment Imaging

Albert J.R. Heck

European Journal of Mass Spectrometry

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Research article

First published 1999-8

Quantum Chemical Studies on the Reactivity of Electron-Rich Heterocycles: Benzofuroxans

Guntram Rauhut, Frank Eckert

Science Progress

Open access

Research article

First published 2020

Proton transfer reaction confined within carbon nanotubes: Density functional theory and quantitative structure–property relationship analysis

Bilal Achouri, Yamina Belmiloud, Meziane Brahimi

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2004-11

The influence of solvent on the two-photon absorption cross section and hyperpolarizability of molecules exhibiting large solvatochromic shifts

Wojciech Bartkowiak, Bartłomiej Skwara, Robert Zaleśny

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 1996-12

Quantum Chemical Study of the Interaction of Water Molecules with a Partially Oxidized Graphite Surface

E.V. Aksenenko, Yu.I. Tarasevich

Adsorption Science & Technology

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Research article

First published 2024-7

Comparative study of experimental and DFT calculations for 3-cinnamoyl 4-hydroxycoumarin derivatives

Ervina Bečić, Mirsada Salihović, Burak Tüzün [...]

Technology and Health Care

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