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Research article

First published 2019-05-18

Quantum chemical and molecular docking studies on two potential hepatitis C virus inhibitors

Gargi Tiwari, Ambrish Kumar Srivastava, Ratnesh Kumar [...]

Main Group Chemistry

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Research article

First published 2018-4

Styrene butadiene rubber as a viscosity improver: Experimental investigations and quantum chemical studies

S Sabarinath, K Prabhakaran Nair, PK Rajendrakumar [...]

Proceedings of the Institution of Mechanical Engineers,Part J: Journal of Engineering Tribology

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Research article

First published 2019-2

Quantum chemical study of the mechanism of the palladium-catalysed C−H acetoxylation of benzene

Nazanin Beyzaie, Sayyed Faramarz Tayyari, Mohammad Vakili [...]

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2003-8

A Quantum Chemical Study of the Protonation of Phenylphosphine and its Halogenated Derivatives

Pham-Cam Nam, Pascal Gerbaux, Minh Tho Nguyen

European Journal of Mass Spectrometry

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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 1999-8

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

Guntram Rauhut, Frank Eckert

Science Progress

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Research article

First published 2005-6

Adsorption kinetics of benzyl triphenyl phosphonium chloride on mild steel in 1N sulphuric acid

Kalpana Bhrara, Gurmeet Singh

Surface 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

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A quantum chemical study of YF n nano clusters – An investigation of superhalogen properties

Anoop Kumar Pandey, Ambrish Kumar Srivastava, Apoorva Dwivedi

Main Group Chemistry

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Research article

First published 2025-5

Study on the corrosion inhibition thermal/kinetic characteristics and quantum chemical mechanism of rhodamine acylhydrazone

An-lan Ji, Jing Lv, Rui Ding [...]

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

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