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https://www.researchgate.net/profile/Saeedreza_Emamian?ev=hdr_xprf&_sg=Zj0dQZWSxSubFohUzFxrd4Xo-mtvHnD1KYDyALP0UO4vuyqj-8AIRpSNSM8QS5DGMw0ek13WIGH3ytZS15qZ3aow

Other IDs

Scopus Author ID: 56731267300

Keywords

Computational Chemistry, [3+2] and [4+2] cycloaddition reactions, ELF topological analysis, Intermolecular non-covalent interactions (Hydrogen-bonding, Halogen-bonding)

Countries

Iran

Biography

Associate Professor of Physical and Theoretical Chemistry (IAU_Shahrood, IRAN)

Activities

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Education and qualifications (1)

Islamic Azad University: Shahrood, IR

2002-01-10 to present | Ph.D. of Physical and Theoretical Chemistry/ Associate Professor (Chemistry)
Education
Source: Self-asserted source
Saeedreza Emamian

Works (50 of 52)

Items per page:
Page 1 of 2

Interplay of Tetrel, Hydrogen, and Halogen Bonds in F3GeOCl and HCN Complexes: A Comprehensive Theoretical Study of Dimers, Trimers, and Tetramers

The Journal of Physical Chemistry A
2025-02-06 | Journal article
DOI: 10.1021/acs.jpca.4c08102
Contributors: Antonio Frontera; Saeedreza Emamian
Source: check_circle
Crossref

Shedding light on the strength, nature, and cooperativity/anti-cooperativity between intermolecular H…N hydrogen and Cl…C halogen bonds in the competitive binary and ternary complexes

Computational and Theoretical Chemistry
2024-06 | Journal article
DOI: 10.1016/j.comptc.2024.114603
Contributors: Saeedreza Emamian; Majid Salami; Seyed Javad Hosseini
Source: check_circle
Crossref

Synthesis of tetrazoles through a domino reaction: A molecular electron density theory study of energetics, selectivities, and molecular mechanistic aspects

Journal of Molecular Graphics and Modelling
2023-08-05 | Journal article
Contributors: Saeedreza Emamian; Mousa Soleymani
Source: Self-asserted source
Saeedreza Emamian

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

ChemistrySelect
2023-07-07 | Journal article
DOI: 10.1002/slct.202300710
Contributors: Saeedreza Emamian; Majid Salami
Source: check_circle
Crossref

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

Journal of Molecular Graphics and Modelling
2022-11 | Journal article
DOI: 10.1016/j.jmgm.2022.108240
Contributors: Mousa Soleymani; Saeedreza Emamian
Source: check_circle
Crossref

A comprehensive theoretical analysis on the intermolecular hydrogen bond interactions with the Lewis bases having multiple hydrogen bonding abilities

Journal of Physical Organic Chemistry
2022-09 | Journal article
DOI: 10.1002/poc.4357
Contributors: Farhad Fereydooni Naghani; Saeedreza Emamian; Karim Zare
Source: check_circle
Crossref

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

Journal of Physical Organic Chemistry
2021-08 | Journal article
DOI: 10.1002/poc.4213
Contributors: Farhad Fereydooni Naghani; Saeedreza Emamian; Karim Zare
Source: check_circle
Crossref

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

Russian Journal of Organic Chemistry
2020-07-17 | Journal article
Source: Self-asserted source
Saeedreza Emamian

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

Structural Chemistry
2020-06-16 | Journal article
Source: Self-asserted source
Saeedreza Emamian

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

Journal of Physical Organic Chemistry
2020-04 | Journal article
DOI: 10.1002/poc.4042
Contributors: Sayyed Mohsen Babazadeh; Saeedreza Emamian
Source: check_circle
Crossref

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

ChemistrySelect
2020-04-21 | Journal article
Source: Self-asserted source
Saeedreza Emamian

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

Journal of Physical Organic Chemistry
2020-01-10 | Journal article
Source: Self-asserted source
Saeedreza Emamian

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

Journal of Physical Organic Chemistry
2019 | Journal article
DOI: 10.1002/poc.3925
EID:

2-s2.0-85058961219
Contributors: Babazadeh, S.M.; Emamian, S.; Zahedi, E.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

European Journal of Organic Chemistry
2019 | Journal article
DOI: 10.1002/ejoc.201801763
EID:

2-s2.0-85060711675
Contributors: Emamian, S.; Domingo, L.R.; Ríos-Gutiérrez, M.; Zahedi, E.; Hosseini, S.J.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

New Journal of Chemistry
2019 | Journal article
DOI: 10.1039/c9nj00269c
EID:

2-s2.0-85063220509
Contributors: Emamian, S.; Soleymani, M.; Moosavi, S.S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Structural Chemistry
2019 | Journal article
DOI: 10.1007/s11224-018-1203-4
EID:

2-s2.0-85055678681
Contributors: Hosseini, S.J.; Emamian, S.; Domingo, L.R.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Tetrahedron
2019 | Journal article
DOI: 10.1016/j.tet.2019.03.059
EID:

2-s2.0-85064184343
Contributors: Ghodsi, F.; Habibi-Khorassani, S.M.; Shahraki, M.; Emamian, S.; Ríos-Gutiérrez, M.; Domingo, L.R.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Journal of Physical Organic Chemistry
2019-12 | Journal article
DOI: 10.1002/poc.4008
Contributors: Arash Amiri; Saeedreza Emamian; Seyed Javad Hosseini; Safa Ali‐Asgari
Source: check_circle
Crossref

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

Journal of Computational Chemistry
2019-12-15 | Journal article
DOI: 10.1002/jcc.26068
Contributors: Saeedreza Emamian; Tian Lu; Holger Kruse; Hamidreza Emamian
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

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

Journal of Fluorine Chemistry
2018 | Journal article
DOI: 10.1016/j.jfluchem.2018.02.006
EID:

2-s2.0-85041836789
Contributors: Asr, A.; Emamian, S.; Aghaie, M.; Aghaie, H.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Chemical Physics
2018 | Journal article
DOI: 10.1016/j.chemphys.2017.12.019
EID:

2-s2.0-85040006055
Contributors: Emamian, S.; Lu, T.; Domingo, L.R.; Heidarpoor Saremi, L.; Ríos-Gutiérrez, M.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

New Journal of Chemistry
2018 | Journal article
DOI: 10.1039/c8nj02021c
EID:

2-s2.0-85049733596
Contributors: Asr, A.; Aghaie, M.; Emamian, S.; Aghaie, H.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier
grade
Preferred source (of 2)‎

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?

Computational and Theoretical Chemistry
2017 | Journal article
DOI: 10.1016/j.comptc.2017.05.019
EID:

2-s2.0-85019741539
Contributors: Emamian, S.; Jasiński, R.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

ChemistrySelect
2017 | Journal article
DOI: 10.1002/slct.201700198
EID:

2-s2.0-85040022884
Contributors: Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

Toward understanding regioselectivity and molecular mechanism in the synthesis of CF<inf>2</inf>H-containing 2-pyrazolines: A molecular electron-density theory study

Journal of Fluorine Chemistry
2017 | Journal article
DOI: 10.1016/j.jfluchem.2017.05.004
EID:

2-s2.0-85018936620
Contributors: Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

RSC Advances
2017 | Journal article
DOI: 10.1039/C7RA00544J
EID:

2-s2.0-85014928486
Contributors: Domingo, L.R.; Ríos-Gutiérrez, M.; Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Journal of Fluorine Chemistry
2016 | Journal article
DOI: 10.1016/j.jfluchem.2016.02.013
EID:

2-s2.0-84963957363
Contributors: Tayyari, S.F.; Gholamhoseinpour, M.; Emamian, S.; Sammelson, R.E.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Canadian Journal of Chemistry
2016 | Journal article
DOI: 10.1139/cjc-2016-0163
EID:

2-s2.0-84991670960
Contributors: Gholamhoseinpour, M.; Tayyari, S.F.; Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

How the mechanism of a [3 + 2] cycloaddition reaction involving a stabilized: N -lithiated azomethine ylide toward a π-deficient alkene is changed to stepwise by solvent polarity? What is the origin of its regio- and endo stereospecificity? A DFT study using NBO, QTAIM, and NCI analyses

RSC Advances
2016 | Journal article
DOI: 10.1039/c6ra13913b
EID:

2-s2.0-84982166300
Contributors: Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Journal of Physical Organic Chemistry
2016 | Journal article
DOI: 10.1002/poc.3544
EID:

2-s2.0-84959423372
Contributors: Domingo, L.R.; Emamian, S.; Salami, M.; Ríos-Gutiérrez, M.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

Understanding the stereoselectivity in Brønsted acid catalysed Povarov reactions generating cis/trans CF<inf>3</inf>-substituted tetrahydroquinolines: A DFT study

RSC Advances
2016 | Journal article
DOI: 10.1039/c5ra27650k
EID:

2-s2.0-84958191204
Contributors: Domingo, L.R.; Ríos-Gutiérrez, M.; Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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?

RSC Advances
2015 | Journal article
DOI: 10.1039/c5ra08614k
EID:

2-s2.0-84937788693
Contributors: Emamian, S.; Lu, T.; Moeinpour, F.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Comptes Rendus Chimie
2015 | Journal article
DOI: 10.1016/j.crci.2015.09.003
EID:

2-s2.0-84948964833
Contributors: Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

RSC Advances
2015 | Journal article
DOI: 10.1039/c5ra17778b
EID:

2-s2.0-84948469608
Contributors: Emamian, S.; Hosseini, S.J.; Ravani, K.-S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

New Journal of Chemistry
2015 | Journal article
DOI: 10.1039/c5nj01600b
EID:

2-s2.0-84948135606
Contributors: Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

Understanding the domino reaction between 3-chloroindoles and methyl coumalate yielding carbazoles. A DFT study

Organic and Biomolecular Chemistry
2015 | Journal article
DOI: 10.1039/c4ob02340d
EID:

2-s2.0-84922613524
Contributors: Domingo, L.R.; Sáez, J.A.; Emamian, S.R.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Journal of Molecular Graphics and Modelling
2015 | Journal article
DOI: 10.1016/j.jmgm.2015.05.006
EID:

2-s2.0-84937523447
Contributors: Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

RSC Advances
2015 | Journal article
DOI: 10.1039/c5ra13527c
EID:

2-s2.0-84940857697
Contributors: Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Journal of Fluorine Chemistry
2015 | Journal article
DOI: 10.1016/j.jfluchem.2015.07.019
EID:

2-s2.0-84938407810
Contributors: Emamian, S.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Phosphorus, Sulfur and Silicon and the Related Elements
2014 | Journal article
DOI: 10.1080/10426507.2013.865121
EID:

2-s2.0-84944698790
Contributors: Ali-Asgari, S.; Zahedi, E.; Emamian, S.R.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

High reactivity of triazolinediones as superelectrophiles in polar reactions: A DFT study

Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry
2014 | Journal article
EID:

2-s2.0-84906738561
Contributors: Domingo, L.R.; Emamian, S.R.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Journal of Chemical Sciences
2014 | Journal article
EID:

2-s2.0-84897860918
Contributors: Emamian, S.R.; Ali-Asgari, S.; Zahedi, E.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Journal of Molecular Graphics and Modelling
2014 | Journal article
DOI: 10.1016/j.jmgm.2014.01.006
EID:

2-s2.0-84893933113
Contributors: Emamian, S.R.; Domingo, L.R.; Tayyari, S.F.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Tetrahedron
2014 | Journal article
DOI: 10.1016/j.tet.2013.12.059
EID:

2-s2.0-84892834483
Contributors: Domingo, L.R.; Emamian, S.R.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Journal of Chemical Sciences
2013 | Journal article
DOI: 10.1007/s12039-013-0466-y
EID:

2-s2.0-84883652765
Contributors: Emamian, S.; Tayyari, S.F.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

Characterization of a redoxresponsive molecular switch based on dibenzo[1,2]dithiine using DFT

Jiegou Huaxue
2012 | Journal article
EID:

2-s2.0-84857349479
Contributors: Zahedi, E.; Emamian, S.; Shiroudi, A.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

DFT study of NBO, NICS and<sup>14</sup>N NQR parameters of guanine tautomers in the gas phase

Zeitschrift fur Physikalische Chemie
2012 | Journal article
DOI: 10.1524/zpch.2011.0153
EID:

2-s2.0-84886455096
Contributors: Zahedi, E.; Zare, K.; Aghaie, H.; Emamian, S.R.; Shiroudi, A.; Aghaie, M.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Progress in Reaction Kinetics and Mechanism
2012 | Journal article
DOI: 10.3184/146867812X13242290723237
EID:

2-s2.0-84864400387
Contributors: Emamian, S.R.; Zahedi, E.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

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

Journal of Physical Organic Chemistry
2012 | Journal article
DOI: 10.1002/poc.2911
EID:

2-s2.0-84865660564
Contributors: Emamian, S.R.; Zahedi, E.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier

Theoretical study of kinetics and thermodynamics of hetero diels-alder reaction of thiazole and isothiazol with thiophene-2,5-dione

Jiegou Huaxue
2011 | Journal article
EID:

2-s2.0-80054993657
Contributors: Emamian, S.R.; Nabavi, J.; Shams, F.; Zahedi, E.
Source: Self-asserted source
Saeedreza Emamian via Scopus - Elsevier
Items per page:
Page 1 of 2

Peer review (4 reviews for 3 publications/grants)

Review activity for Journal of organic chemistry. (2)
Review activity for The journal of physical chemistry. (1)
Review activity for The journal of physical chemistry. (1)
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