Computational and Theoretical Chemistry

Optimization of energy surface of thiophene-benzothiazole derivative Schiff base molecule with fuzzy logic modelling

Publication date: May 2022Source: Computational and Theoretical Chemistry, Volume 1211Author(s): Ahmet Şahiner, Temel Ermiş, Emel Ermiş

By ScienceDirect Publication: Computational and Theoretical Chemistry, 4 years ago

Computational and Theoretical Chemistry

Two-state reactivity in the acetylene cyclotrimerization reaction catalyzed by a single atomic transition-metal ion: The case for V<sup>+</sup> and Fe<sup>+</sup>

Publication date: May 2022Source: Computational and Theoretical Chemistry, Volume 1211Author(s): Toshiyuki Takayanagi

By ScienceDirect Publication: Computational and Theoretical Chemistry, 4 years ago

Computational and Theoretical Chemistry

Pentavalent phosphorus formation mechanism

Publication date: May 2022Source: Computational and Theoretical Chemistry, Volume 1211Author(s): Mohamed Ali BOUGHDIRI, Alia MEJRI, Bahoueddine TANGOUR

By ScienceDirect Publication: Computational and Theoretical Chemistry, 4 years ago