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Research article

First published 2001-2

Computational Aspects of Combinatorial Quantum Chemistry

Paul G. Mezey

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2018-2

Quantum chemistry calculation for isopropyl nitrate hydrolysis reaction

Yong-Kang Chen, Ming-Hua Chen, Zhen-Tao An [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2007-3

Study of the Structure of N-Vinylsuccinimide by Quantum Chemistry Methods

E. V. Sivtsov, N. A. Lavrov

International Polymer Science and Technology

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Research article

First published 2025

A quantum chemistry investigation of hydrogen abstraction from borazanaphthalene

Maryam Hajipour, Reza Ghiasi, Sahar Baniyaghoob

Main Group Chemistry

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Research article

First published 2016-1

The Application of Quantum Chemistry Methods in the Development of Composites Based on Rubbers and Polyamide

N.A. Mul'tanovskaya

International Polymer Science and Technology

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Research article

First published 2023-2

Quantum chemistry calculation and experimental research on the component proportion of black disperse dye

Jingsi Qiu, Yue Liu

Textile Research Journal

Open access

Research article

First published 2022-05

Quantum Dots in Peroxidase-like Chemistry and Formamide-Based Hot Spring Synthesis of Nucleobases

Lukáš Nejdl, Lukáš Petera, Judit Šponer [...]

Astrobiology

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Research article

First published 2004-8

Electronic and vibrational polarizability and first hyperpolarizability of charge transfer chromophores: Quantum chemistry investigation

Amar Saal, Ourida Ouamerali

Journal of Computational Methods in Sciences and Engineering

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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 2015-6

Automated Quantum Chemistry Based Molecular Dynamics Simulations of Electron Ionization Induced Fragmentations of the Nucleobases Uracil,Thymine,Cytosine,and Guanine

Christoph Alexander Bauer, Stefan Grimme

European Journal of Mass Spectrometry

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