Sotoodeh Bagheri

发表

Theoretical insight into the hybridization effect of donor and acceptor atoms on the cooperativity of C–H···N hydrogen bonds

H. R. Masoodi, Mojtaba Ghaffari, Sotoodeh Bagheri, 2021, Journal of Molecular Modeling.

Intermolecular interactions in uracil–nitrous acid complexes: structures, binding energy, topological properties, and nuclear magnetic resonance study

Batoul Makiabadi, H. R. Masoodi, Sotoodeh Bagheri, 2013 .

Influence of substitution on the strength and nature of CH···N hydrogen bond in XCCH···NH3 complexes

H. Roohi, Sotoodeh Bagheri, 2011 .

Substituent effects on some calculated NMR data in T-shaped configuration of benzene dimer

Batoul Makiabadi, M. Zakarianezhad, H. R. Masoodi, 2014 .

Theoretical prediction of some novel nanotubes composed of macrocyclic structures: A DFT study

R. Ranjbar-Karimi, H. R. Masoodi, Sotoodeh Bagheri, 2017 .

The role of nature of aromatic ring on cooperativity between π–π stacking and ion–π interactions: A computational study

Sotoodeh Bagheri, Hamid Reza Masoodi, Roghayeh Sadat Pourhosseini, 2023, Computational and Theoretical Chemistry.

The influence of number of nitrogen atoms on the NMR data in aromatic azine⋯HF complexes

Batoul Makiabadi, M. Zakarianezhad, M. Mohammadi, 2013 .

DFT study of stability and electronic properties of cyclic tetramer involving dinucleobase monomers, comprising acetylene central block substituted at both edges with guanine and cytosine nucleobases

A. Gholipour, H. R. Masoodi, Alireza Bazmandegan-Shamili, 2022, Molecular Physics.

Exploring the role of substituents on cooperativity between N⋯HF and CH⋯F hydrogen bonds in ternary systems involving aromatic azine: Substituted complexes of s-triazine:HF:s-triazine as a working model

H. R. Masoodi, Sotoodeh Bagheri, Asmaa Yousofvand, 2016 .

The effects of tautomerization and protonation on the adenine–cytosine mismatches: a density functional theory study

H. R. Masoodi, Sotoodeh Bagheri, Mahsa Abareghi, 2016, Journal of biomolecular structure & dynamics.

The effect of metal alkali cations on the properties of hydrogen bonds in tautomeric forms of adenine - Guanine mismatch.

Sotoodeh Bagheri, Mojdeh Rafizadeh Shahi, 2020, Journal of molecular graphics & modelling.

Theoretical study of hydrogen bonds and electronic properties in hexagonal arrangements composed of self-assembled DNA analogues

Sotoodeh Bagheri, 2020, Structural Chemistry.

The influence of cations and anions on some structural and electronic properties of single-walled zigzag boron nitride and aluminum nitride nanotubes: a computational study

A. Ebrahimi, H. R. Masoodi, Sotoodeh Bagheri, 2015, Structural Chemistry.

DFT simulation of Watson–Crick-like guanine–thymine mismatch in quaternary systems involving DNA bases

H. R. Masoodi, Sotoodeh Bagheri, Zahra Anvari, 2020 .

DFT study of adenine–cytosine mismatch in quaternary systems involving DNA bases

H. R. Masoodi, Sotoodeh Bagheri, Zahra Anvari, 2018, Structural Chemistry.

The influence of Cu+ binding to hypoxanthine on stabilization of mismatches involving hypoxanthine and DNA bases: a DFT study

H. R. Masoodi, Sotoodeh Bagheri, Zahra Ghaderi, 2018, Journal of biomolecular structure & dynamics.

Estimation of individual NH···X (X = N, O) hydrogen bonding energies in some complexes involving multiple hydrogen bonds using NBO calculations

H. R. Masoodi, Sotoodeh Bagheri, Maryam Nosrat Abadi, 2015, Theoretical Chemistry Accounts.

A theoretical survey of substituent effects on the properties of pnicogen and hydrogen bonds in cationic complexes of PH4+ with substituted benzonitrile.

H. R. Masoodi, Sotoodeh Bagheri, Ali Reza Akrami-Mohajeri, 2017, Journal of molecular graphics & modelling.

Theoretical study of cooperativity between hydrogen bond‒hydrogen bond, halogen bond‒halogen bond and hydrogen bond‒halogen bond in ternary FX…diazine…XF (X = H and Cl) complexes

H. R. Masoodi, Sotoodeh Bagheri, M. Ranjbar, 2016 .

The influence of cation-π and anion-π interactions on some NMR data of s-triazine…HF hydrogen bonding: A theoretical study

Batoul Makiabadi, M. Zakarianezhad, M. Mohammadi, 2013 .

Interplay between π···π stacking and cation···π interaction: a theoretical NMR study

H. R. Masoodi, Sotoodeh Bagheri, 2015, Journal of the Iranian Chemical Society.

Computational analyses of cooperativity between pnicogen and halogen bonds in H2FP:pyrimidine: ClF complex

H. R. Masoodi, Sotoodeh Bagheri, Mona Vasfi, 2023, Structural Chemistry.

The influence of carbon hybridization on coupling constants across CX⋯ClF dihalogen bond: A computational study

H. R. Masoodi, Sotoodeh Bagheri, 2015 .

A theoretical survey of substituent effects on the properties of pnicogen and hydrogen bonds in cationic complexes of PH4+ with substituted benzonitrile.

H. R. Masoodi, Sotoodeh Bagheri, Ali Reza Akrami-Mohajeri, 2017, Journal of molecular graphics & modelling.

The influence of CH … π interaction on coupling constants across N … H–F hydrogen bond in a substituted T-shaped configuration: a theoretical study

H. R. Masoodi, Sotoodeh Bagheri, 2020, Molecular Physics.

The influence of substituents on cooperativity between CH···π and N···H hydrogen bonds in a T-shaped configuration: X-benzene⊥(FH···pyrazine···HF) complexes as a working model

M. Mohammadi, H. R. Masoodi, S. Saeednia, 2016, Structural Chemistry.

Theoretical study of physicochemical properties of ionic liquid [mim][C(CN)3]

H. R. Masoodi, Sotoodeh Bagheri, Batoul Maki̇abadi̇, 2016, Chemistry of Heterocyclic Compounds.

Stability and electronic properties of binary systems involving hydrogen and halogen bonded [12]cyclacenes: a DFT study

H. R. Masoodi, Sotoodeh Bagheri, 2020, Structural Chemistry.