Saeedreza Emamian

Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms‐in‐Molecules Descriptors, Binding Energies, and Energy Components of Symmetry‐Adapted Perturbation Theory

Saeedreza Emamian, Tian Lu, Holger Kruse et al. · Journal of Computational Chemistry · 2019 · 1.5K citations

Natural Sciences, Chemistry, Physics +17

Understanding the mechanisms of [3+2] cycloaddition reactions. The pseudoradical versus the zwitterionic mechanism

Luís R. Domingo, Saeedreza Emamian · Tetrahedron · 2014 · 109 citations

Natural Sciences, Chemistry, Chemical Kinetics +6

Tautomerism in pyridazin-3(2H)-one: A theoretical study using implicit/explicit solvation models

Saeedreza Emamian, Luís R. Domingo, Sayyed Faramarz Tayyari · Journal of Molecular Graphics and Modelling · 2014 · 32 citations

Natural Sciences, Chemistry, Medicinal Chemistry +14

Understanding the regioselectivity and molecular mechanism in the synthesis of isoxazoles containing pentafluorosulfanyl substitution via a [3+2] cycloaddition reaction: A DFT study

Saeedreza Emamian · Journal of Fluorine Chemistry · 2015 · 28 citations

Natural Sciences, Chemistry, Medicinal Chemistry +10

Can the high reactivity of azomethine betaines in [3 + 2] cycloaddition reactions be explained using singlet-diradical character descriptors? What molecular mechanism is actually involved in these cycloadditions?

Saeedreza Emamian, Tian Lu, Farid Moeinpour · RSC Advances · 2015 · 27 citations

Natural Sciences, Chemistry, Structure-activity Relationships +12