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Research article

First published 2004-8

Static Dipole Polarizability of o-,m- and p-Benzyne isomers: Ab initio,DFT and CCSD calculations

Humberto Soscún, Carlos Toro-Mendoza, Esker Chacín [...]

Journal of Computational Methods in Sciences and Engineering

Open access

Research article

First published 2019

Atomistic investigation of hybrid plasmonic systems

Giulia Giannone, Fabio Della Sala, Stefania D’Agostino

Nanomaterials and Nanotechnology

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Research article

First published 2002-11

Ab initio Study of Configurations of Cycloundeca-1,2,4,5,7,8,10-heptaene

Davood Nori-Shargh, Bita Soltani, Saeed Jameh-Bozorghi [...]

Journal of Chemical Research

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Research article

First published 2003-9

Ab Initio Study of Conformational Properties of ( Z,Z,Z )-Cyclonona-1,3,6-Triene

Davood Nori-Shargh, Mostafa Mohammadpour Amini, Saeed Jameh-Bozorghi [...]

Journal of Chemical Research

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Research article

First published 2003-3

The Aryl Cation – the Trapping and Characterisation of a Hyper-Reactive Species

Terence J. Kemp

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2025-9

Mechanical behavior of porous silicon: Ab initio and nanoindentation study

S. Bouchendouka, H. Lachenani, Y. Belaroussi [...]

Materials Science and Technology

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Research article

First published 2007-11

Molecular modeling of bioactive selenium compounds

Craig A. Bayse, Sonia Antony

Main Group Chemistry

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Research article

First published 2003-7

Ab initio Study of Configurational and Conformational Properties of Cyclodeca-1,2,4,6,7,9-Hexaene and Cyclodeca-1,2,4,6,8,9-Hexaene †

Davood Nori-Shargh, Nasrin Sarogh-Farahani, Saeed Jameh-Bozorghi [...]

Journal of Chemical Research

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Research article

First published 2010-5

Ab initio and DFT study of the static dipole (hyper)polarizabilities of benzaldehyde and thio-benzaldehyde molecules in gas phase

Humberto Soscún

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2012-3

A Quinoline Based bis-Urea Receptor for Anions: A Selective Receptor for Hydrogen Sulfate

Tiffany H. Russ, Avijit Pramanik, Maryam E. Khansari [...]

Natural Product Communications

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