دکتر مهدی قمبریان

Theoretical Study of Divalent Group 14 Reactive Intermediates
By: M.Z. Kassaee, M. Ghambarian
Iran National Science Foundation (INSF), grant number: 85053/17.

A study of the structure and substituent effects on organocatalytic properties of carbenes in order to increase enantiomeric purity of drug
By: Z. Azizi, M. Ghambarian
Department of chemistry, Karaj Branch, Islamic Azad University, Karaj, Iran

 
 
List of Publication
1- Journal of Organometallic Chemistry 690 (2005) 4692–4703
In search of triplet ground state GeCNX germylenes (X = H, F, Cl, and Br): An ab initio and DFT study
M.Z. Kassaee, M. Ghambarian, S.M. Musavi
2- Journal of Organometallic Chemistry 691 (2006) 2666–2678
From halo-azasilylenes to halo-phosphasilylenes (X-CNSi vs. X-CPSi) at ab initio and DFT levels
M.Z. Kassaee, S.M. Musavi, M. Ghambarian
3- Journal of Organometallic Chemistry 691 (2006) 1845–1856
A quest for triplet silylenes XHSi₃ at ab initio and DFT levels (X = H, F, Cl and Br)
M.Z. Kassaee, S.M. Musavi, M. Ghambarian
4- Journal of Organometallic Chemistry 691 (2006) 2933–2944
Switching of global minima of novel germylenic reactive intermediates via halogens (X): C₂GeH₂ vs. C₂GeHX at ab initio and DFT levels
M.Z. Kassaee, S.M. Musavi, M. Ghambarian, M.R. Khalili Zanjani
5- Journal of Molecular Structure: THEOCHEM 731 (2005) 225–231
Divalent propargylenic C₂H₂M group 14 elements: Structures and singlet–triplet energy splittings (M=C, Si, Ge, Sn and Pb)
M.Z. Kassaee, S.M. Musavi, M. Ghambarian
6- Journal of Molecular Structure: THEOCHEM 726 (2005) 171–181
Multiplicity vs. stability in C₂HP carbenes and their halogenated analogues: an ab initio and DFT study
M.Z. Kassaee, S.M. Musavi, M. Ghambarian
7- Journal of Molecular Structure: THEOCHEM 722 (2005) 151–160
Ab initio study of singlet–triplet energy separations in C₂HXSi silylenes (X=H, F, Cl and Br)
M. Z. Kassaee, S. M. Musavi, M. Ghambarian
8- Journal of Molecular Structure: THEOCHEM 730 (2005) 33–44
Ab initio and DFT energetics of silylenic X–CNSi (X=H, F, Cl, and Br)
M.Z. Kassaee, S.M. Musavi, M. Ghambarian, S.E. Hosseini
9- Journal of Molecular Structure: THEOCHEM 761 (2006) 7–16
A theoretical study on phosphasilylenes CPSi-X (X=H, CN, NH₂ and OMe)
M. Z. Kassaee, S.M. Musavi, N. JalaliManesh, M. Ghambarian
10- Heteroatom Chemistry, Volume 17, Number 7 (2006) 619-633
Steric effects on the dialkyl substituted X₂C₂Si silylenes: A theoretical study
M. Z. Kassaee, S. M. Musavi, S. Soleimani-Amiri, M. Ghambarian
11- Monatshefte für Chemie - Chemical Monthly, 137 (2006) 1385-1400
Novel triplet ground state silylenes: H-N=C=Si, CN-N=C=Si and MeO-N=C=Si at DFT levels
M. Z. Kassaee, S. M. Musavi, F. Buazar, M. Ghambarian
12- Heteroatom Chemistry, Volume 18, Number 3 (2007) 283-293
A theoretical study on C₂HXSi silylenes (X = H, CN, NH₂ and OMe)
M. Z. Kassaee, S. M. Musavi, M. Ghambarian
13- Journal of Molecular Structure: THEOCHEM 849 (2008) 37-45
Divalency switch from carbenes to germylenes at theoretical levels
M.Z. Kassaee, S. Soleimani-Amiri, M. Ghambarian
14- International Journal of Quantum Chemistry, 108 (2008) 696-707
Novel Silicon Nanorings: Persilacyclacenes at DFT
M.Z. Kassaee, H. Arefrad, M. Ghambarian
15- Heteroatom Chemistry, Volume 19, Number 4 (2008) 377-388
Halogen Switching of Azacarbenes C₂NH Ground States, at Ab initio and DFT Levels
M.Z. Kassaee, M. Ghambarian, S.M. Musavi
16- Journal of Molecular Structure: THEOCHEM, 861 (2008) 117-121
How steric effects favor thiepins over their benzene sulfide tautomers at theoretical levels?
M.Z. Kassaee, S.M. Musavi, M.R. Momeni, F.A. Shakib, M. Ghambarian
17- Monatshefte für Chemie - Chemical Monthly, 140 (2009) 33-38
Silabenzene through divalent precursors at theoretical levels
M. Z. Kassaee, F.A. Shakib, M.R. Momeni, M. Ghambarian, S.M. Musavi
18- Journal of Structural Chemistry, 20 (2009) 517-524
Effects of fused benzene rings on tautomerizations and inversions of benzo, azabenzo, and oxabenzocycloheptatrienes at theoretical levels
M. Z. Kassaee, M.R. Momeni, F.A. Shakib, M. Ghambarian, S.M. Musavi
19- Journal of Molecular Structure: THEOCHEM, 913 (2009) 16-21
Toward stable N-heterocyclic silylenes at theoretical levels
M.Z. Kassaee, H. Zandi, M.R. Momeni, F.A. Shakib, M. Ghambarian
20- Journal of Physical Organic Chemistry, 22 (2009) 919-924
A theoretical investigation into dimethylcarbene and its diamino and diphosphino analogs: effects of cyclization and unsaturation on the stability and multiplicity
M.Z. Kassaee, M. Ghambarian, S.M. Musavi, F.A. Shakib, M.R. Momeni
21- Tetrahedron, 65 (2009) 10093-10098
A DFT study on pyridine-derived N-heterocyclic carbenes
M.Z. Kassaee, F.A. Shakib, M.R. Momeni, M. Ghambarian, S.M. Musavi
22- Journal of Organometallic Chemistry, 695 (2010) 760-765
Pyridine derived N-heterocyclic germylenes: A density functional perspective
M.Z. Kassaee, M.R. Momeni, F.A. Shakib, M. Ghambarian 
23- Journal of Structural Chemistry, 21 (2010) 593-598
NOVEL α-SPIROCYCLIC (ALKYL)(AMINO)CARBENES AT THE THEORETICAL CROSSROAD OF FLEXIBILITY AND RIGIDITY
M. Z. Kassaee, M.R. Momeni, F.A. Shakib, M. Ghambarian, S.M. Musavi
24- Journal of Organic Chemistry, 75 (2010) 2539–2545
Carbenes with Reduced Heteroatom Stabilization: A Computational Approach
M. Z. Kassaee, F.A. Shakib, M.R. Momeni, M. Ghambarian, S.M. Musavi
25- Journal of Physical Organic Chemistry, 24 (2011) 351-359
From acyclic dialkylcarbene to the unsaturated cyclic heteroatom substituted ones: a survey of stability
M.Z. Kassaee, M. Ghambarian, F.A. Shakib, M.R. Momeni
26- Organic Letters, 13 (2011) 3600-3603
[n]Imperilenes: Stacked [n]Trannulenes Separated by Planar Cycloalkane Rings
F.A. Shakib, M.R. Momeni, J.I. Wu, P.v.R. Schleyer, Z. Azizi, M. Ghambarian
27- Computational and Theoretical Chemistry, 1001 (2012) 39-43
Effects of α-mono heteroatoms (N vs. P), and β-conjugation on cyclic silylenes
M.Z. Kassaee, H. Zandi, B. N. Haerizade, M. Ghambarian
28- Combinatorial Chemistry & High Throughput Screening, (2013) in press
Facile and efficient synthesis of new class of imidazole derivatives via one-pot multicomponent reactions in water
Z. Hossaini, F. Rostami Charati, S. Seyfi, M. Ghambarian
29- Chinese Chemical Letters, (2013) in press
Multicomponent reactions for the synthesis of functionalized 1,4-oxathiane-3-thione under microwave irradiation in water
Z. Hossaini, F. Rostami Charati, S. Seyfi, M. Ghambarian
30- Monatshefte für Chemie - Chemical Monthly, 144 (2013) 1783–1786
Reaching for cyclacenes and short nanotubes through Si substitutions as studied by DFT calculations
M. Z. Kassaee, H. Zandi, H. Aref Rad, M. Ghambarian
31- Phosphorus, Sulfur, and Silicon and the Related Elements 190 (2015) 1177–1182
Synthesis of a new class of phosphonate derivatives using a three component reaction of trialkyl phosphites or triaryl phosphites in water
Z. Hossaini, F. Rostami-Charati, M. Ghambarian, S.A. Siadati
32- Letters in Organic Chemistry 12 (2015) 176-180
Green Synthesis of Phosphorylated Chromenes from Hydroxy Phenones
Z. Hossaini, M. Ghambarian, S. Afshari Sharif Abad, B. Mohtat
33- Structural Chemistry (2015) DOI: 10.1007/s11224-015-0575-y
Characterization of extraframework Zn²⁺ cationic sites in silicalite-2: a computational study
M. Ghashghaee, M. Ghambarian, Z. Azizi
34- Australian Journal of Chemistry (2015) DOI: dx.doi.org/10.1071/CH14715
Saturated N, X-Heterocyclic Carbenes (X= N, O, S, P, Si, C, and B): Stability, Nucleophilicity, and Basicity
Z. Azizi, M. Ghambarian, M.A. Rezaei, M Ghashghaee
35-   Chemistry Letters, (2015) DOI: doi.org/10.1246/cl.150660
Saturated five-membered N,B-heterocyclic carbene: a computational study
 M. Ghambarian, Z. Azizi, M. Ghashghaee.
 
 
List of Papers Presented in Congresses and Seminars
1- First International Congress on NanoScience and Nanotechnology, University of Tehran, 2006
Structures, Electronic Properties, and Aromaticity of Si-Cyclocenes
M.Z. Kassaee, H. Arefrad, M. Ghambarian, S.M. Musavi
2- 11^th Iranian Seminar of Organic Chemistry, 1-3 February 2005
Isomeric comparisons between SiC₂H₂ silylenes via ab initio
M.Z. Kassaee, S.M. Musavi, M. Hattami, M. Ghambarian
3- 11^th Iranian Seminar of Organic Chemistry, 1-3 February 2005
Theoretical study of the C₂GeH₂ germylenes
M.Z. Kassaee, S.M. Musavi, M. Ghambarian, M.R. Khalili Zanjani
4- 11^th Iranian Seminar of Organic Chemistry, 1-3 February 2005
Distinct aspects of X-phosphasilylenes, X-CPSi (X = H, F), via ab initio
M.Z. Kassaee, M. Ghambarian, S.M. Musavi
5- 11^th Iranian Seminar of Organic Chemistry, 1-3 February 2005
C₂HP carbenes and their fluorinated analogues, C₂FP, a theoretical study
M.Z. Kassaee, M. Ghambarian, S.M. Musavi
6- First Congress on Nanotechnology, University of Shiraz, 2007
Mechanism of Carbon nano-tube formation: Multiplicity of C₄ and C₆ nano-rods at 9 levels of theory
M. Z. Kassaee, S. Soleimani-Amiri, M. Ghambarian
7- 17^th Iranian Seminar of Organic Chemistry, University of Mazandaran, Babolsar, 13-15 October 2010
Computational predictions of enantioselectivity in asymmetric N-heterocyclic carbene-catalyzed intermolecular cross-benzoin condensations
M. Z. Kassaee, M. Ghambarian
8- 17^th Iranian Seminar of Organic Chemistry, University of Mazandaran, Babolsar, 13-15 October 2010
Comparison of nucleophilicity of stable singlet carbenes in organic reactions
M. Z. Kassaee, M. Ghambarian
9- 11^th International Seminar on Polymer Science and Technology, Iran Polymer and Petrochemical Institute,Tehran, 6-9 October 2014
Active Site Formation in Phillips CrO₃/SiO_x Catalysts: A DFT Study
Naeimeh Bahri- Laleh, Majid Karimi, Mehdi Ghambarian
10- 11^th International Seminar on Polymer Science and Technology, Iran Polymer and Petrochemical Institute,Tehran, 6-9 October 2014
Structural and Electronic Characterization of Ethyl and C(Me)₂ Bridged Substituted-Dicyclopentadienylzirconnium Type Metallocene Catalysts
Mehdi Ghambarian, Saadi Samadi, Zahra Azizi, Naeimeh Bahri-Laleh
11- 11^th International Seminar on Polymer Science and Technology, Iran Polymer and Petrochemical Institute,Tehran, 6-9 October 2014
A theoretical study of electronic structures and steric effects in the Si-bridged zirconocene catalysts
Saadi Samadi, Zahra Azizi, Naeimeh Bahri-Laleh, Mehdi Ghambarian
12- 11^th International Seminar on Polymer Science and Technology, Iran Polymer and Petrochemical Institute,Tehran, 6-9 October 2014
Structural and Electronic Characterization of M(dppp)Cl₂ Catalysts with M=Ni, Pd, and Pt: A DFT Study
Naeimeh Bahri-Laleh, Mehdi Ghambarian