S. Emamian

发表

Conformational stability, barriers to internal rotations, and normal coordinate analysis of acetone and its 2H-isotopomers

S. Tayyari, Mahboobeh Gholamhoseinpour, S. Emamian, 2016 .

Conformational analysis, structure, and normal coordinate analysis of vibrational spectra of hexafluoroacetone. A density functional theory study

R. Sammelson, S. Tayyari, Mahboobeh Gholamhoseinpour, 2016 .

Exploring influence of fluorine substitution on the strength and nature of halogen bond between iodobenzene and hydrogen cyanide

S. Emamian, Farhad Fereydooni Naghani, K. Zare, 2021 .

[3 + 2] cycloaddition reaction ofN,N′cyclic azomethine imines toward highly electron‐deficient nitroalkenes: A molecular electron density theory study

S. Emamian, E. Zahedi, S. Babazadeh, 2019, Journal of Physical Organic Chemistry.

Understanding the stereoselectivity in Brønsted acid catalysed Povarov reactions generating cis/trans CF3-substituted tetrahydroquinolines: a DFT study

L. Domingo, M. Ríos‐Gutiérrez, S. Emamian, 2016 .

Comparative Investigation of the Stabilities of Indene and Isoindene and the Their Heteroanalogs (N,O,S) Using Computational Methods

S. Emamian, E. Zahedi, S. Ali-Asgari, 2014 .

A molecular electron density theory study on the Chichibabin reaction: The origin of regioselectivity.

S. Emamian, Mousa Soleymani, M. Soleymani, 2022, Journal of molecular graphics & modelling.

Shedding light on the energetics, regioselectivity, stereoselectivity, and mechanistic aspects of [3 + 2] cycloaddition reaction between azomethine imines and 2‐sulfolene through molecular electron density theory

S. Emamian, S. Babazadeh, 2020 .

Understanding the domino reaction between 1-diazopropan-2-one and 1,1-dinitroethylene. A molecular electron density theory study of the [3 + 2] cycloaddition reactions of diazoalkanes with electron-deficient ethylenes

L. Domingo, M. Ríos‐Gutiérrez, S. Emamian, 2017 .

Kinetic and thermodynamic study of the substituent effect on the amino-Claisen rearrangement of para-substituted N-allyl-N-arylamine: a Hammett study via DFT

M. R. Zardoost, S. Emamian, K. Zare, 2010 .

A Molecular Electron Density Theory Study of [3+2] Cycloaddition Reaction between Azomethine Ylides and Electron‐Deficient Nitroalkenes

S. Emamian, 2017 .

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?

S. Emamian, T. Lu, F. Moeinpour, 2015 .

Mechanism and regioselectivity of 1,3-dipolar cycloaddition reactions of sulphur-centred dipoles with furan-2,3-dione: A theoretical study using DFT

S. Emamian, E. Zahedi, S. Ali-Asgari, 2014, Journal of Chemical Sciences.

Mechanism and Regioselectivity of the 1,3-Dipolar Cycloaddition of Methyleneamine N-Oxide with Cyclopent-3-Ene-1,2-Dione and its Aza, Oxa and Thia Analogues: A Dft Approach

S. Emamian, E. Zahedi, Saeed Reza Emamian, 2012 .

Mechanism and regioselectivity of the 1,3-dipolar cycloaddition of thiocarbonyl S-imide with cyclopent-3-ene-1,2-dione and methoxyethene: a density functional theory approach

S. Emamian, E. Zahedi, 2012 .

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

S. Tayyari, L. Domingo, S. Emamian, 2014, Journal of molecular graphics & modelling.

Understanding the domino reactions of alkyne-tethered N-tosylhydrazones yielding fused polycyclic pyrazoles. An MEDT study

L. Domingo, M. Ríos‐Gutiérrez, S. Emamian, 2019, Tetrahedron.

Participation of furoxancarbonitrile oxide in [3+2] cycloaddition reaction toward C–N triple bond: a Molecular Electron Density Theory study of regioselectivity and mechanistic aspect

S. J. Hosseini, L. Domingo, S. Emamian, 2018, Structural Chemistry.

A DFT computational study on the molecular mechanism of reaction between pyridinium salts and π-deficient ethylenes: Why furan derivatives are formed instead of feasible cyclopropane derivatives and [3 + 2] cycloadducts?

S. Emamian, R. Jasiński, 2017 .

Aziridination of Aromatic Aldimines Through Stabilized Ammonium Ylides: A Molecular Electron Density Theory Study

S. J. Hosseini, L. Domingo, M. Ríos‐Gutiérrez, 2019, European Journal of Organic Chemistry.

Stereoselective cyclopropanation of olefins through ammonium ylides: A molecular electron density theory study

S. J. Hosseini, S. Emamian, S. Ali‐Asgari, 2019, Journal of Physical Organic Chemistry.

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

Holger Kruse, Saeedreza Emamian, Tian Lu, 2019, J. Comput. Chem..

Understanding the molecular mechanism in a regiospecific [3 + 2] cycloaddition reaction including C–O and C–S interactions: an ELF topological analysis

S. Emamian, 2015 .

DFT Study of NBO, NICS and 14N NQR Parameters of Guanine Tautomers in the Gas Phase

A. Shiroudi, S. Emamian, K. Zare, 2011 .

Stereoselective Cyclopropanation of Arylmethylidenemalononitriles by 2,6-Dimethylquinoline: A Molecular Electron Density Theory Study

S. J. Hosseini, S. Emamian, H. Hassani, 2020, Russian Journal of Organic Chemistry.

Theoretical study of intramolecular hydrogen bonding in the halo derivatives of 1-amino-3-imino-prop-1-ene

S. Tayyari, S. Emamian, 2013, Journal of Chemical Sciences.

Generation of a substituted 1,2,4-thiadiazole ring via the [3+2] cycloaddition reaction of benzonitrile sulfide toward trichloroacetonitrile. A DFT study of the regioselectivity and of the molecular mechanism

S. Emamian, 2015 .

Understanding the molecular mechanism of the [3 + 2] cycloaddition reaction of benzonitrile oxide toward electron‐rich N‐vinylpyrrole: a DFT study

L. Domingo, M. Ríos‐Gutiérrez, S. Emamian, 2016 .

Regio- and stereochemistry in the aza-Diels–Alder reaction of an azoalkene with furan and 2,3-dihydrofuran: a molecular electron density theory study

S. Emamian, M. Soleymani, 2020, Structural Chemistry.

Polar Diels–Alder reaction of isoprene toward 2-bromocyclobutenone followed by a subsequent sodium hydroxide-assisted ring contraction reaction. A regio- and stereoselectivity and molecular mechanism study using DFT

S. Emamian, 2015 .

Copper(i)-catalyzed asymmetric aza Diels–Alder reactions of azoalkenes toward fulvenes: a molecular electron density theory study

S. Emamian, M. Soleymani, Samira Sadat Moosavi, 2019, New Journal of Chemistry.

Hexamethylphosphanetriamine‐mediated aziridination of imines with alpha‐ketoesters: A molecular electron density theory study

S. J. Hosseini, S. Emamian, S. Ali‐Asgari, 2020 .

A Study of the Effects of the Lewis Acid Catalysts on Oxa‐Diels‐Alder Reactions through Molecular Electron Density Theory

L. Domingo, S. Emamian, S. Ali‐Asgari, 2020 .

A molecular electron density theory study on the [3+2] cycloaddition reaction of thiocarbonyl ylides with hetaryl thioketones

S. Emamian, H. Aghaie, M. Aghaie, 2018 .

[3+2] cycloaddition reaction between CF3-substituted thiocarbonyl ylides and thioketones: Exploration of regioselectivity and mechanistic aspects using Molecular Electron Density Theory

S. Emamian, H. Aghaie, M. Aghaie, 2018 .

A molecular electron density theory study of the chemo- and regioselective [3 + 2] cycloaddition reactions between trifluoroacetonitrile N-oxide and thioketones

L. Domingo, M. Ríos‐Gutiérrez, S. Emamian, 2018 .

Toward understanding regioselectivity and molecular mechanism in the synthesis of CF2H-containing 2-pyrazolines: A molecular electron-density theory study

S. Emamian, 2017 .

Ionic Diels–Alder reaction of 3-bromofuran toward the highly electron deficient cyclobuteniminium cation: a regio- and stereoselectivity, and molecular mechanism study using DFT

S. J. Hosseini, S. Emamian, Khadije-sadat Ravani, 2015 .

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

S. Emamian, 2015 .

Understanding the molecular mechanism and regioselectivity in the synthesis of celecoxib via a domino reaction: A DFT study.

S. Emamian, 2015, Journal of molecular graphics & modelling.

Diels‐Alder Reaction of Oxazolidine‐fused Butadienes Toward Alkenes: Shedding Light on the Energetics, Selectivities, and Molecular Mechanistic Aspects by a Density Functional Theory Study

S. Emamian, M. Salami, 2023, ChemistrySelect.

Structure and vibrational assignment of the enol form of 1-chloro-1,1-difluoro-pentane-2,4-dione

S. Tayyari, S. Emamian, Y. Wang, 2008 .