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1

DFT and MP2 Study of Intermolecular Interaction of 5-Aminotetrazole and Hydrazine: Enthalpy of Formation of Hydrazinium 5-Aminotetrazolate in the Gas Phase

Najafi Chermahini, Alireza, Farrokhpour, Hossein, Eghbalsaeid, Mohammadbagher, Teimouri, Abbas

Journal:

Propellants, Explosives, Pyrotechnics

Year:

2014

Language:

english

File:

PDF, 414 KB

english, 2014

2

Intermolecular interaction of guanidine and 2H-tetrazole: Enthalpy formation of guanidinium tetrazolate in the gas phase

Reza Afyouni, Mohammad, Farrokhpour, Hossein, Najafi Chermahini, Alireza

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 771 KB

english, 2016

3

Direct production of hexyl levulinate as a potential fuel additive from glucose catalyzed by modified dendritic fibrous nanosilica

Mohammadbagheri, Zahra, Chermahini, Najafi

Journal:

Renewable Energy

Year:

2020

Language:

english

File:

PDF, 2.32 MB

english, 2020

4

Dehydration of carbohydrates into 5-hydroxymethylfurfural over vanadyl pyrophosphate catalysts

Najafi Sarpiri, Jaleh, Najafi Chermahini, Alireza, Saraji, Mohammad, Shahvar, Ali

Journal:

Renewable Energy

Year:

2021

File:

PDF, 3.17 MB

2021

5

ChemInform Abstract: Simple and Efficient Synthesis of 5-Substituted 1-H-Tetrazoles Using Metal-Modified Clay Catalysts.

Alireza Najafi Chermahini, Abbas Teimouri, Ali Moaddeli

Journal:

Year:

2011

File:

PDF, 32 KB

2011

6

Aryloxy tetrazoles with axial chirality: Synthesis and partial resolution of 5-(1-(2-methoxynaphthalen-1-yl)naphthalen-2-yloxy)-1H-tetrazole

Hossein A. Dabbagh, Alireza Najafi Chermahini, Abbas Teimouri

Journal:

Heteroatom Chemistry

Year:

2006

Language:

english

File:

PDF, 95 KB

english, 2006

7

Simple and efficient synthesis of 5-substituted 1-H-tetrazoles using metal-modified clay catalysts

Alireza Najafi Chermahini, Abbas Teimouri, Ali Moaddeli

Journal:

Heteroatom Chemistry

Year:

2011

Language:

english

File:

PDF, 88 KB

english, 2011

8

A new family of bis-tetrazole (BIZOL) BINOL-type ligands

Hossein A. Dabbagh, Alireza Najafi-Chermahini, Soodabeh Banibairami

Journal:

Tetrahedron Letters

Year:

2006

Language:

english

File:

PDF, 107 KB

english, 2006

9

Relation between the substituent effect and aromaticity in tetrazoles, protonated tetrazoles and tetrazolate derivatives

Alireza Najafi Chermahini, Hossein Abdol Dabbagh, Abbas Teimouri

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 105 KB

english, 2007

10

Theoretical studies on tautomerism of tetrazole 5-thion

Alireza Najafi Chermahini, Abbas Teimouri, Alireza Salimi Beni

Journal:

Structural Chemistry

Year:

2011

Language:

english

File:

PDF, 352 KB

english, 2011

11

Density functional theory study of intermolecular interactions of cyclic tetrazole dimers

Alireza Najafi Chermahini, Aseyeh Ghaedi, Abbas Teimouri, Fariborz Momenbeik, Hossein A. Dabbagh

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 257 KB

english, 2008

12

An efficient and one-pot synthesis of benzimidazoles, benzoxazoles, benzothiazoles and quinoxalines catalyzed via nano-solid acid catalysts

Teimouri, Abbas, Chermahini, Alireza Najafi, Salavati, Hossien, Ghorbanian, Leila

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2013

Language:

english

File:

PDF, 798 KB

english, 2013

13

A periodic density functional theory study of tetrazole adsorption on anatase surfaces: potential application of tetrazole rings in dye-sensitized solar cells

Chermahini, Alireza Najafi, Hosseinzadeh, Behzad, Beni, Alireza Salimi, Teimouri, Abbas, Moradi, Mahmood

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 1002 KB

english, 2014

14

Characterization and catalytic properties of molybdenum oxide catalysts supported on ZrO 2 –γ-Al 2 O 3 for ammoxidation of toluene

Teimouri, Abbas, Najari, Bahareh, Najafi Chermahini, Alireza, Salavati, Hossein, Fazel-Najafabadi, Mahmoud

Journal:

Year:

2014

Language:

english

File:

PDF, 703 KB

english, 2014

15

Novel organic dyes with anchoring group of barbituric/thiobarbituric acid and their application in dye-sensitized solar cells

Hosseinzadeh, Behzad, Salimi Beni, Alireza, Najafi Chermahini, Alireza, Ghahary, Raheleh, Teimouri, Abbas

Journal:

Synthetic Metals

Year:

2015

Language:

english

File:

PDF, 2.18 MB

english, 2015

16

Preparation, characterization, degradation and biocompatibility of different silk fibroin based composite scaffolds prepared by freeze-drying method for tissue engineering application

Teimouri, Abbas, Azadi, Mohammad, Emadi, Rahmatollah, Lari, Jalil, Chermahini, Alireza Najafi

Journal:

Polymer Degradation and Stability

Year:

2015

Language:

english

File:

PDF, 3.15 MB

english, 2015

17

The effect of deformation and intermolecular interaction on the absorption spectrum of 5-aminotetrazole and hydrazine: A computational molecular spectroscopy study on hydrazinium 5-aminotetrazolate

Farrokhpour, H., Dehbozorgi, A., Manassir, M., Najafi Chermahini, A.

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 3.39 MB

english, 2016

18

The Effect of the diameter of Cyclic Peptide Nanotube on its Chirality Discrimination

Farrokhpour, Hossein, Mansouri, Alireza, Rajabi, Ahmad Reza, Najafi Chermahini, Alireza

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2018

Language:

english

File:

PDF, 2.13 MB

english, 2018

19

Furfural oxidation to maleic acid with H2O2 by using vanadyl pyrophosphate and zirconium pyrophosphate supported on well-ordered mesoporous KIT-6

Rezaei, Masoume, Chermahini, Alireza Najafi, Dabbagh, Hossein A., Saraji, Mohammad, Shahvar, Ali

Journal:

Journal of Environmental Chemical Engineering

Year:

2018

Language:

english

File:

PDF, 1.98 MB

english, 2018

20

ChemInform Abstract: Clay-Catalyzed Synthesis of 5-Substituent 1-H-Tetrazoles.

Alireza Najafi Chermahini, Abbas Teimouri, Fariborz Momenbeik, Amin Zarei, Zeinab Dalirnasab, Aseyeh Ghaedi, Mostafa Roosta

Journal:

Year:

2010

File:

PDF, 20 KB

2010

21

Clay-catalyzed synthesis of 5-substituent 1-H-tetrazoles

Alireza Najafi Chermahini, Abbas Teimouri, Fariborz Momenbeik, Amin Zarei, Zeinab Dalirnasab, Aseyeh Ghaedi, Mostafa Roosta

Journal:

Journal of Heterocyclic Chemistry

Year:

2010

Language:

english

File:

PDF, 667 KB

english, 2010

22

Environmentally friendly efficient synthesis and mechanism of triazenes derived from cyclic amines on clays, HZSM-5 and sulfated zirconia

H.A. Dabbagh, A. Teimouri, A. Najafi Chermahini

Journal:

Applied Catalysis B: Environmental

Year:

2007

Language:

english

File:

PDF, 1017 KB

english, 2007

23

Linear free energy relationship for the anomeric effect: MP2, DFT and ab initio study of 2-substituted-1,4-dioxanes

Hossein A. Dabbagh, Marzie Naderi, Alireza Najafi Chermahini

Journal:

Carbohydrate Research

Year:

2011

Language:

english

File:

PDF, 2.05 MB

english, 2011

24

Green and efficient diazotization and diazo coupling reactions on clays

Hossein A. Dabbagh, Abbas Teimouri, Alireza Najafi Chermahini

Journal:

Dyes and Pigments

Year:

2007

Language:

english

File:

PDF, 232 KB

english, 2007

25

DFT and ab initio calculations of the vibrational frequencies and visible spectra of triazenes derived from cyclic amines

Hossein A. Dabbagh, Abbas Teimouri, Alireza Najafi Chermahini, Rezvan Shiasi

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2007

Language:

english

File:

PDF, 804 KB

english, 2007

26

DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2,4-dihydroxy benzoic acids

Hossein A. Dabbagh, Abbas Teimouri, Alireza Najafi Chermahini, Maryam Shahraki

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2008

Language:

english

File:

PDF, 1.10 MB

english, 2008

27

Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of biotin

Mohammad Emami, Abbas Teimouri, Alireza Najafi Chermahini

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2008

Language:

english

File:

PDF, 1.18 MB

english, 2008

28

Spectroscopic, quantum chemical DFT/HF study and synthesis of [2.2.1] hept-2′-en-2′-amino-N-azatricyclo [3.2.1.02,4] octane

Abbas Teimouri, Mohammad Emami, Alireza Najafi Chermahini, Hossein A. Dabbagh

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2009

Language:

english

File:

PDF, 587 KB

english, 2009

29

Experimental and CIS, TD-DFT, ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes

Abbas Teimouri, Alireza Najafi Chermahini, Keivan Taban, Hossein A. Dabbagh

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2009

Language:

english

File:

PDF, 1.06 MB

english, 2009

30

Synthesis, characterization, and DFT studies of a novel azo dye derived from racemic or optically active binaphthol

Abbas Teimouri, Alireza Najafi Chermahini, Mohammad Emami

Journal:

Year:

2008

Language:

english

File:

PDF, 385 KB

english, 2008

31

Theoretical studies on tautomerism of tetrazole derivatives by polarisable continuum method (PCM)

Alireza Najafi Chermahini, Masoud Nasr-Esfahani, Zeinab Dalirnasab, Hossein Abdol Dabbagh, Abbas Teimouri

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 119 KB

english, 2007

32

Theoretical studies on tautomerism of dihydropyrimidine tautomers

Alireza Najafi Chermahini, Hossein A. Dabbagh, Abbas Teimouri

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 229 KB

english, 2008

33

Theoretical studies on tautomerism of triazole derivatives in the gas phase and solution

Hossein A. Dabbagh, Elham Rasti, Alireza Najafi Chermahini

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 285 KB

english, 2010

34

Synthesis, Crystal Structure and Conformational Studies of Schiff-Base Compound 2-{[4-(Phenyldiazenyl)Phenyl]Iminomethyl}-5-Bromophenol

Aliakbar Dehno Khalaji, Karla Fejfarova, Michal Dusek, Alireza Najafi Chermahini

Journal:

Journal of Chemical Crystallography

Year:

2012

Language:

english

File:

PDF, 331 KB

english, 2012

35

Synthesis, characterization, crystal structure, and theoretical studies on Schiff-base compound 6-[(5-Bromopyridin-2-yl)iminomethyl]phenol

Aliakbar Dehno Khalaji, Alireza Najafi Chermahini, Karla Fejfarova, Michal Dusek

Journal:

Structural Chemistry

Year:

2010

Language:

english

File:

PDF, 243 KB

english, 2010

36

Ab initio and DFT studies of hydrogen bond interactions in difluoroacetic acid dimer

Alireza Najafi Chermahini, Ali Moaddeli, Abbas Teimouri

Journal:

Structural Chemistry

Year:

2010

Language:

english

File:

PDF, 310 KB

english, 2010

37

Synthesis of mono and bis-4-methylpiperidiniummethyl-urea as corrosion inhibitors for steel in acidic media

Abbas Teimouri, Nasrin Soltani, Alireza Najafi Chermahini

Journal:

Frontiers of Chemical Science and Engineering

Year:

2011

Language:

english

File:

PDF, 335 KB

english, 2011

38

Rapid and efficient diazotization and diazo coupling reactions on silica sulfuric acid under solvent-free conditions

Amin Zarei, Abdol R. Hajipour, Leila Khazdooz, Bibi F. Mirjalili, Alireza Najafi Chermahini

Journal:

Dyes and Pigments

Year:

2009

Language:

english

File:

PDF, 781 KB

english, 2009

39

Asymmetric syntheses with BINOL-based imidoyl azide

H. A. Dabbagh, A. Najafi Chermahini

Journal:

Russian Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 314 KB

english, 2008

40

One-pot Green Synthesis of Pyrrole Derivatives Catalyzed by Nano Sulfated Zirconia as a Solid Acid Catalyst

Abbas Teimouri, Alireza Najafi Chermahini

Journal:

Chinese Journal of Chemistry

Year:

2012

Language:

english

File:

PDF, 816 KB

english, 2012

41

Ab initioand semiempirical conformational and configurational analysis ofN-2-(1,4-dioxane)-N’-(4-methylbenzenesulfonyl)-O-(4-methylphenoxy)isourea

H. A. Dabbagh, A. R. Najafi Chermahini, A. R. Modarresi-Alam, A. Teimouri

Journal:

Journal of the Iranian Chemical Society

Year:

2006

Language:

english

File:

PDF, 322 KB

english, 2006

42

DFT,ab initioand FT-IR studies of the structure of sulfonamide triazenes

H. A. Dabbagh, A. Teimouri, R. Shiasi, A. Najafi Chermahini

Journal:

Journal of the Iranian Chemical Society

Year:

2008

Language:

english

File:

PDF, 362 KB

english, 2008

43

Stereoselective (exo-specific) synthesis, dynamic1H NMR and quantum chemical conformational and configurational analysis of norbornene-aziridine-E-imidoyl system

Dabbagh, Hossein A., Najafi Chermahini, Alireza

Journal:

Journal of the Iranian Chemical Society

Year:

2012

Language:

english

File:

PDF, 791 KB

english, 2012

44

Application of modified clays in diazotization and azo coupling reactions in water

Alireza Najafi Chermahini, Maryam Doukheh, Hassan Zadeh Hassan, Mehdi Bostanian

Journal:

Journal of Industrial & Engineering Chemistry

Year:

2012

Language:

english

File:

PDF, 1.24 MB

english, 2012

45

An efficient and one-pot synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazoles catalyzed via solid acid nano-catalyst

Abbas Teimouri, Alireza Najafi Chermahini

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2011

Language:

english

File:

PDF, 646 KB

english, 2011

46

Zeolite and sulfated zirconia as catalysts for the synthesis of 5-substituted 1H-tetrazoles via [2+3] cycloaddition of nitriles and sodium azide

Abbas Teimouri, Alireza Najafi Chermahini

Journal:

Year:

2011

Language:

english

File:

PDF, 1.36 MB

english, 2011

47

MP2, DFT and ab initio calculations on thioxanthone

Alireza Salimi Beni, Alireza Najafi Chermahini, Hashem Sharghi, Setareh Mirzaei Monfared

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2011

Language:

english

File:

PDF, 362 KB

english, 2011

48

Relation between the substituent effect and aromaticity in imidazole derivatives: A comparative study

Alireza Najafi Chermahini, Behzad Hosseinzadeh, Alireza Salimi Beni, Abbas Teimouri

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 441 KB

english, 2012

49

A mild and highly efficient Friedländer synthesis of quinolines in the presence of heterogeneous solid acid nano-catalyst

Teimouri, Abbas, Najafi Chermahini, Alireza

Journal:

Arabian Journal of Chemistry

Year:

2011

Language:

english

File:

PDF, 718 KB

english, 2011

50

Theoretical studies on the effect of substituent in the proton transfer reaction of 4-substituted pyrazoles

Chermahini, Alireza Najafi, Teimouri, Abbas, Salimi Beni, Alireza, Dordahan, Fatemeh

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 723 KB

english, 2013