A B3LYP-D3 computational study of electronic, structural and torsional dynamic properties of mono-substituted naphthalenes: the effect of the nature and position of substituent-Reference-Cited by-同舟云学术

A B3LYP-D3 computational study of electronic, structural and torsional dynamic properties of mono-substituted naphthalenes: the effect of the nature and position of substituent

Published:2024-02-29 Issue:3 Volume:30 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Benalia Amina,Boukaoud Abdelali,Amrani Rachid,Krid Adel

Funder

Directorate-General for Scientific Research and Technological Development

Publisher

Springer Science and Business Media LLC

Link

https://link.springer.com/content/pdf/10.1007/s00894-024-05884-6.pdf

Reference58 articles.

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2. Mei D, Lebarbier VM, Rousseau R, Glezakou VA, Albrecht KO, Kovarik L., ... Dagle RA (2013) Comparative investigation of benzene steam reforming over spinel supported Rh and Ir catalysts. ACS Catalys 3(6):1133–1143. https://doi.org/10.1021/cs4000427

3. Terpstra P, van Weerden WJ (1936) On the symmetry of the benzene molecule. Recl Trav Chim Pays-Bas 55(2):161–169. https://doi.org/10.1002/recl.19360550211

4. Capelli SC, Albinati A, Mason SA, Willis BT (2006) Molecular motion in crystalline naphthalene: analysis of multi-temperature X-ray and neutron diffraction data. J Phys Chem A 110(41):11695–11703. https://doi.org/10.1021/jp062953a

5. Falandysz J (1998) Polychlorinated naphthalenes: an environmental update. Environ Pollut 101(1):77–90. https://doi.org/10.1016/S0269-7491(98)00023-2

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