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Research article

First published 2014-11

GaN doped C 60 as a nano bio sensor for the detection of mispairing in adenine-thymine base pair

Shamoon Ahmad Siddiqui

Main Group Chemistry

Open access

Research article

First published 2026

A path-based boosting algorithm for exploring transition metal compounds

Claudio Meggio, Johan Pensar, David Balcells [...]

Statistical Modelling

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Research article

First published 2026

Decoding magic numbers in helium droplet mass spectra: An experimental and DFT perspective on corannulene-H₂ and -D₂ cluster stability

Noor Ul Ain Sarwar, Shanawer Niaz, Bilal Rasul

European Journal of Mass Spectrometry

Free access

Research article

First published 2004-5

Preparation of 1-Aryl-2-bromo-3,3-difluorocyclopropenes

Shaw-Tao Lin, Li-Chwen Chen, Chun-Jen Lee

Journal of Chemical Research

Open access

Research article

First published 2021-1

Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies,natural bond orbital,and nucleus-independent chemical shifts analyses of 3-phenylbenzo[ d ]thiazole-2(3 H )-imine and its para -substituted derivatives: Solvent and substituent effects

Marzieh Miar, Abolfazl Shiroudi, Khalil Pourshamsian [...]

Journal of Chemical Research

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Research article

First published 2015-7

Implicit and explicit solvent effects on the selectivity of the cycloaddition reaction of cyclopentadiene and methyl acrylate;a theoretical study

Mohammad Khavani, Mohammad Izadyar

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2008-7

First hyperpolarizability of donor-acceptor substituted aromatic backbone molecular systems: Effect of dihedral angle and excitation energy

Diksha Makwani, R. Vijaya

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2026

Structural,vibrational,and electronic properties of 2-methyl-5-nitro-1 H -benzimidazole-6-amine: An experimental and theoretical approach

Seda Kulen

Main Group Chemistry

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Research article

First published 2004-8

PLS prediction of hyperpolarizabilities for donor-bridge-acceptor organic systems

A.E. de A. Machado, B. de Barros Neto, A.A. de S. da Gama

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 1997-03

Electronic and Optical Parameters of the TGM-3 Photopolymer

B Sahraoui, I V Kityk, M Czerwinski [...]

High Performance Polymers

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