Computational and Theoretical Chemistry

The investigation of two-dimensional nanosheet (C<img class=”glyph” src=”https://sdfestaticassets-eu-west-1.sciencedirectassets.com/shared-assets/16/entities/sbnd” />C, BC<sub>3</sub>, NC<sub>3</sub>) as a potential drug delivery platform for isoniazid drug

Publication date: October 2023Source: Computational and Theoretical Chemistry, Volume 1228Author(s): Hamed Soleymanabadi

By ScienceDirect Publication: Computational and Theoretical Chemistry, ago

Structural and vibrational spectroscopic signature of a bio-relevant molecule: (<em>E</em>)-3-(2-(4-methoxyphenyl)hydrazineylidene)chromane-2, 4-dione

Publication date: Available online 1 September 2023Source: Computational and Theoretical ChemistryAuthor(s): A. K.Vishwkarma, T. Yadav, E. Shakerzadeh, I. Karmakar, G. Brahmachari, A. Kumar, Pramod K. Singh, M. Srivastava, A. Pathak

By ScienceDirect Publication: Computational and Theoretical Chemistry, ago

Atmospherically relevant halogen- and hydrogen- bond complex [CCl<sub>4</sub> <img class=”glyph” src=”https://sdfestaticassets-eu-west-1.sciencedirectassets.com/shared-assets/16/entities/sbnd” />(H<sub>2</sub>Y)<sub>n</sub>] with Y = O and S, n<math xmlns:mml=”http://www.w3.org/1998/Math/MathML” display=”inline” id=”d1e1449″ altimg=”si5.svg” class=”math”><mo>≤</mo></math>4: A computational study on Rayleigh scattering properties

Publication date: Available online 30 August 2023Source: Computational and Theoretical ChemistryAuthor(s): Sumit Kumar Agrawal, Amrita Chakraborty, Shamik Chakraborty

By ScienceDirect Publication: Computational and Theoretical Chemistry, ago