In silico modelling of chelate stabilized tetrylene derivatives
AC Tomut, IA Aghion, R Septelean, ID Porumb… - RSC …, 2024 - pubs.rsc.org
The steric and electronic effects of specific ligands can play crucial roles in stabilizing
unsaturated tetrylene species. In this work, hybrid density functional theory (DFT) methods …
unsaturated tetrylene species. In this work, hybrid density functional theory (DFT) methods …
Quantum Chemical Calculations on CHOP Derivatives—Spanning the Chemical Space of Phosphinidenes, Phosphaketenes, Oxaphosphirenes, and COP− Isomers
A Rey, A Espinosa Ferao, R Streubel - Molecules, 2018 - mdpi.com
After many decades of intense research in low-coordinate phosphorus chemistry, the advent
of Na [OCP] brought new stimuli to the field of CHOP isomers and derivatives thereof. The …
of Na [OCP] brought new stimuli to the field of CHOP isomers and derivatives thereof. The …
[PDF][PDF] OXIDATION OF sp2 VERSUS sp3 PHOSPHORUS ATOM IN 1, 3-DIPHOSPHAPROPENES. A DFT STUDY
IT Moraru, R Septelean, G Nemes - Rev. Roum. Chim, 2020 - academia.edu
DFT calculations are performed on the diphosphapropene model RP= C (Cl)-P (Cl) R (R= H,
Me, Ph, tBu, Mes, Mes*) in order to understand the selectivity of the sp2 versus sp3 …
Me, Ph, tBu, Mes, Mes*) in order to understand the selectivity of the sp2 versus sp3 …
THEORETICAL STUDY OF P (III)= CP (V) TYPE DIPHOSPHAPROPENES COORDINATED TO TRANSITION METALS.
R Septelean, PM Petrar… - Studia Universitatis Babes …, 2011 - search.ebscohost.com
Abstract DFT calculations at BP86/6-311G*(d, p) level of theory were performed RP (Cl)= CP
(= E) MeCl (R= H, Me or Ph and E= O, S) units, in order to realized a energetic and …
(= E) MeCl (R= H, Me or Ph and E= O, S) units, in order to realized a energetic and …
Three-Membered Rings With Two Heteroatoms Including Phosphorus to Bismuth
I Damljanović, D Stevanović - 2021 - scidar.kg.ac.rs
This chapter covers literature reports on three-membered rings which contain two
heteroatoms including phosphorus and arsenic. Analogous contributions concerning …
heteroatoms including phosphorus and arsenic. Analogous contributions concerning …