DFT and structural studies of 2-oxo-1, 2, 3, 4-tetrahydropyridines
HR Memarian, M Kalantari, HA Rudbari… - Computational and …, 2017 - Elsevier
Quantum chemical calculations based on density functional theory (DFT) and X-ray crystal
structure analysis of some ethyl 4-aryl-6-methyl-2-oxo-1, 2, 3, 4-tetrahydropyridine-5 …
structure analysis of some ethyl 4-aryl-6-methyl-2-oxo-1, 2, 3, 4-tetrahydropyridine-5 …
Computational studies on the rotamers of 4-aryl-2-oxo-1, 2, 3, 4-tetrahydropyrimidines and 4-aryl-2-oxo-1, 2-dihydropyrimidines
HR Memarian, S Amini - Journal of Structural Chemistry, 2019 - Springer
The potential energy surface of 2-oxo-1, 2, 3, 4-tetrahydropyrimidines (THPMs) is explored
by density functional theory at the B3LYP level with a 6-31++ G** basis set. All minimum and …
by density functional theory at the B3LYP level with a 6-31++ G** basis set. All minimum and …
Substituent effect on the tautomerism of 5-acetyl-2-methoxydihydropyrimidines: experimental NMR and computational DFT studies
HR Memarian, F Rezaie, H Sabzyan… - Journal of the Iranian …, 2014 - Springer
Abstract Some selected 5-acetyl-2-methoxydihydropyrimidines (DHPMs) are synthesized
and the electronic effect of the substituent on the 4-position of the heterocyclic ring on the …
and the electronic effect of the substituent on the 4-position of the heterocyclic ring on the …
Recent Progress on Synthesis and Bio-activities of Tetrahydropyrimidine-2-one derivatives
MS Bhosale, K Sarvanan… - Research Journal of …, 2021 - indianjournals.com
This review covers up synthesis, characterization and Pharmacological activities of various
derivatives of 1, 2, 3, 4-Tetrahydropyrimidine-2-one, including recent mechanistic advances …
derivatives of 1, 2, 3, 4-Tetrahydropyrimidine-2-one, including recent mechanistic advances …
NMR and DFT studies of 2-oxo-1, 2, 3, 4-tetrahydropyridines: solvent and temperature effects
HR Memarian, M Kalantari… - Australian Journal of …, 2018 - CSIRO Publishing
Various 5-carboethoxy-2-oxo-1, 2, 3, 4-tetrahydropyridines and their corresponding
oxidation products containing methoxy or nitro groups on different positions of the C4-aryl …
oxidation products containing methoxy or nitro groups on different positions of the C4-aryl …
DFT study of the molecular structure of 4, 6-diaryl-2-oxo-1, 2, 3, 4-tetrahydropyrimidines
Density functional theory at the B3LYP/6–31++ G (d, p) level was applied to study structural,
electronic and bonding characteristics of various 5-unsubstituted 4, 6-diaryl-2-oxo-1, 2, 3, 4 …
electronic and bonding characteristics of various 5-unsubstituted 4, 6-diaryl-2-oxo-1, 2, 3, 4 …