1 - Alireza Nowroozi, M. R. Housaindokht, Ebrahim Nakhahae sobhie, A detail investigation of synergistic effects between the intramolecular hydrogen bond and pi-electron delocalization in 3-hydroxy prop-2-en thial and its derivatives , STRUCTURAL CHEMISTRY. (2021) 32 709-718 View Paper
2 - Sadeghali Bavafa, Alireza Nowroozi, Ali Ebrahimi, The cooperativity and diminutive effects between the cation-? and aerogen bond in some complexes of heterocyclic rings , MOLECULAR PHYSICS. (2021) 119 1-13 View Paper
3 - ABBASALI KEYKHAEI, Alireza Nowroozi, On the performance of molecular tailoring approach for estimation of the intramolecular hydrogen bond energies of RAHB systems: a comparative study , STRUCTURAL CHEMISTRY. (2020) 31 423-433 View Paper
4 - Sadeghali Bavafa, Alireza Nowroozi, Ali Ebrahimi, Ab initio study of aerogen-bonds between some heterocyclic compounds of benzene with the noble gas elements (Ne, Ar, and Kr) , STRUCTURAL CHEMISTRY. (2020) 31 435-445 View Paper
5 - , Ali Ebrahimi, Alireza Nowroozi, Theoretical insight to intermolecular hydrogen bond interactions between methyl N-(2-pyridyl) carbamate and acetic acid: substituent effects, cooperativity and energy decomposition analysis , Bulgarian Chemical Communications. (2019) 51 224-233 View Paper
6 - , Alireza Nowroozi, Comparative study of resonance-inhibited hydrogen bonded (RIHB) systems with different atoms involved: the leading role of ?-planarity , MOLECULAR PHYSICS. (2019) 117 1-11 View Paper
7 - Seyede Samira Hosseini, Alireza Nowroozi, Ebrahim Nakhaei, Abbas Heshmati Jannat Magham, A Comprehensive Theoretical Study of Amide Resonance, Intramolecular Hydrogen Bonding, and pi-Electron Delocalization in Diformyl and Dithioformyl Amine , Russian Journal of Physical Chemistry A. (2019) 93 2053-2060 View Paper
8 - Ramin Rafat, Alireza Nowroozi, Competition Between the Intramolecular Hydrogen Bond and the ?-Electron Delocalization in Some RAHB Systems: A Theoretical Study , JOURNAL OF STRUCTURAL CHEMISTRY. (2019) 60 755-762 View Paper
9 - Sadeghali Bavafa, Alireza Nowroozi, Ali Ebrahimi, Quantum chemical study of the nature of interactions between the boraphosphinine and alumaphosphinine with some of the mono- and divalent cations: cation-? or cation-lone pair? , STRUCTURAL CHEMISTRY. (2019) 30 1887-1898 View Paper
10 - , Ali Ebrahimi, Alireza Nowroozi, Complexes of damirone A/C, batzelline A/D, makaluvamine O and makaluvone with guanidinium and magnesium cations: a theoretical study , STRUCTURAL CHEMISTRY. (2019) 30 1635-1646 View Paper
11 - Ebrahim Nakhahae, Alireza Nowroozi, Fateme Ravari, The influence of 5-fluorouracil anticancer drug on the DNA base pairs; a quantum chemical study , JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS. (2019) 37 1-19 View Paper
12 - Ebrahim Nakhaei, Alireza Nowroozi, Fateme Ravari, The hydrogen-bonded complexes of the 5-fluorouracil with the DNA purine bases: a comprehensive quantum chemical study , STRUCTURAL CHEMISTRY. (2018) 29 69-80 View Paper
13 - Azra Ebadi, A.A. Rafati, Sadeghali Bavafa, Alireza Nowroozi, Kinetic study, structural analysis and computational investigation of novel xerogel based on drug-PEG/SiO2 for controlled release of enrofloxacin , JOURNAL OF MOLECULAR LIQUIDS. (2018) 266 733-742 View Paper
14 - Alireza Nowroozi, Ali Ebrahimi, Omid Rezvani rad, Mutual effects of the cation-?, anion-? and intramolecular hydrogen bond in the various complexes of 1,3,5-triamino-2,4,6-trinitrobenzene with some cations (Li+, Na+, K+, Mg2+, Ca2+) and anions (F?, Cl?, Br?) , STRUCTURAL CHEMISTRY. (2018) 29 129-137 View Paper
15 - Ramin Rafat, Alireza Nowroozi, A comprehensive theoretical study of conformational analysis, intramolecular hydrogen bond, pi-electron delocalization, and tautomeric preferences in 2-selenoformyl-3-thioxo-propionaldehyde , STRUCTURAL CHEMISTRY. (2018) 29 1057-1065 View Paper
16 - Ramin Rafat, Alireza Nowroozi, Solvent effects on the molecular stability, intramolecular hydrogen bond, and ?-electron delocalization in the simple RAHB systems with different donors and acceptors: a quantum chemical study , STRUCTURAL CHEMISTRY. (2018) 1-9 View Paper
17 - , Alireza Nowroozi, Boron nitride nanotubes for delivery of 5-fluorouracil as anticancer drug: a theoretical study , APPLIED SURFACE SCIENCE. (2018) 428 500-513 View Paper
18 - Kolsoom Shayan, Alireza Nowroozi, DFT and TD-DFT study of the enol and thiol tautomers of 3-thioxopropanal in the ground and first singlet excited states , JOURNAL OF THEORETICAL and COMPUTATIONAL CHEMISTRY. (2017) 16 1750034-1750056 View Paper
19 - , Alireza Nowroozi, Evaluation the origin of conformational preferences in trifluoroacetylacetaldehyde by detail analysis of the intramolecular hydrogen bond and ?-electron delocalization in the ground and first excited states , JOURNAL OF STRUCTURAL CHEMISTRY. (2017) 58 1251-1261 View Paper
20 - Omid Rezvani rad, Alireza Nowroozi, A comprehensive theoretical study of mutual interactions between the intramolecular hydrogen bond and ?-electron delocalization of RAHB units with the benzene rings in salicylaldehyde and ortho-aminobenzaldehyde with their thio and seleno analogues , STRUCTURAL CHEMISTRY. (2017) 28 1141-1149 View Paper
21 - Alireza Nowroozi, Omid Rezvani rad, A comparative study of cooperative effects between the intramolecular hydrogen bond and cation···? interaction in various complexes of ortho-aminobenzaldehyde with its thio and seleno analogous , THEORETICAL CHEMISTRY ACCOUNTS. (2017) 136 1-9 View Paper
22 - Omid Rezvani rad, Alireza Nowroozi, Interplay between the intramolecular hydrogen bonds and cation-? interactions in various complexes of salicylaldehyde, thiosalicylaldehyde and selenosalicylaldehyde with Li + , Na + , K + , Mg , MOLECULAR PHYSICS. (2017) 115 784-794 View Paper
23 - , Ali Ebrahimi, Alireza Nowroozi, intermolecular hydrogen bonds between 1,4-benzoquinones and HF molecule: Synergetic effects, reduction potentials and electronaffinitiesi , JOURNAL OF MOLECULAR GRAPHICS and MODELLING. (2017) 77 86-93
24 - Shiva Rezazadeh, Ali Ebrahimi, Alireza Nowroozi, The effects of structural properties on the methylglyoxal scavenging mechanism of flavonoid aglycones: A quantum mechanical study , Computational and Theoretical Chemistry. (2017) 1118 26-38
25 - , Alireza Nowroozi, On the performance of resonance assisted hydrogen bond theory in malonaldehyde derivatives , Computational and Theoretical Chemistry. (2016) 1096 27-32
26 - Alireza Nowroozi, , , , A comparative study of two-ring resonance-assisted hydrogen bond systems , STRUCTURAL CHEMISTRY. (2016) 27 829-838
27 - , Alireza Nowroozi, Study on the interaction of metallocene catalysts with the surface of carbon nanotubes and its influence on the catalytic properties. 1. Investigation of possible complex structures and the influence on structural and electronic properties , JOURNAL OF ORGANOMETALLIC CHEMISTRY. (2016) 818 154-162
28 - , Alireza Nowroozi, The first singlet excited state (S1) intramolecular hydrogen bond of malonaldehyde derivatives: a TD-DFT and CIS study , STRUCTURAL CHEMISTRY. (2016) 27 1769-1780
29 - , Alireza Nowroozi, Computational investigation on the intramolecular resonanceinhibited hydrogen bonding: a new type of interaction versus the RAHB model , THEORETICAL CHEMISTRY ACCOUNTS. (2015) 134 1-11
30 - Alireza Nowroozi, , How to estimate the intramolecular hydrogen-bond energy of complex RAHB systems A theoretical study , structural chemistry. (2014) 25 215-220
31 - Alireza Nowroozi, , , OH O and OH S intramolecular interactions in simple resonance-assisted hydrogen bond systems a comparative study of various models , structural chemistry. (2014) 25 251-258
32 - Alireza Nowroozi, , , , A comprehensive theoretical study of tautomeric and conformeric preferences, intramolecular hydrogen bonding, and p-electron delocalization in b-selenoaminoacrolein with its thio and oxo analogs , STRUCTURAL CHEMISTRY. (2014) 1359-1368
33 - Ali Reza Modarresi Alam, Alireza Nowroozi, , , , Conformation analysis and computation of energy barrier to rotation about CAN bond in para-methylphenyl carbamate and its solvent dependence in comparison with tertiary carbamates and tertiary amides , JOURNAL OF MOLECULAR STRUCTURE. (2014) 299-307
34 - Alireza Nowroozi, , , OHO and OHS intramolecular interactions in simple resonance-assisted hydrogen bond systems: a comparative study of various models , STRUCTURAL CHEMISTRY. (2014) 251-258
35 - Alireza Nowroozi, , , Exploring the correlation between the p-electron delocalization and intramolecular hydrogen bond in malonaldehyde derivatives; a quantum chemical study , STRUCTURAL CHEMISTRY. (2014) 1415-1422
36 - Ali Reza Modarresi Alam, Alireza Nowroozi, , , Conformation Analysis and Computation of Energy Barrier to Rotation about C-N Bond in Para-Methylphenyl Carbamate and its Solvent Dependence in Comparison with tertiary Carbamates and tertiary Amides , journal of molecular structure. (2014) 1076 299-307
37 - , , Alireza Nowroozi, Hydrogen adsorption on SiC nanotube under transverse electric field , physics letters a. (2014) 378 2549-2552
38 - Alireza Nowroozi, , , , A comprehensive theoretical study of tautomeric and conformeric preferences intramolecular hydrogen bonding and -electron delocalization in -selenoaminoacrolein with its thio and oxo analogs , structural chemistry. (2014) 25 1359-1368
39 - Alireza Nowroozi, , , Exploring the correlation between the -electron delocalization and intramolecular hydrogen bond in malonaldehyde derivatives a quantum chemical study , structural chemistry. (2014) 25 1415-1422
40 - Alireza Nowroozi, , Conformational analysis tautomeric preference intramolecular hydrogen bonding and solvent effect on dinitrosamine A quantum chemical study , international journal of quantum chemistry. (2013) 113 1026-1033
41 - , Alireza Nowroozi, Conformational Analysis, Tautomeric Preference, Intramolecular Hydrogen Bonding, and Solvent Effect on Dinitrosamine: A Quantum Chemical Study , INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. (2013) 1026-1033
42 - , Alireza Nowroozi, , , , A comparative study of open-close and related rotamers methods to evaluate the intramolecular hydrogen bond energies in 3-imino-propen-1-ol and its derivatives , international journal of quantum chemistry. (2012) 112 1384-1391
43 - , Alireza Nowroozi, , , A quantum chemical study of conformational and tautomeric preferences, intramolecular hydrogen bonding and p-electron delocalization on dinitrosomethane; in gas phase and water solution , STRUCTURAL CHEMISTRY. (2012) 1941-1951
44 - , Alireza Nowroozi, , , A quantum chemical study of conformational and tautomeric preferences intramolecular hydrogen bonding and -electron delocalization on dinitrosomethane in gas phase and water solution , structural chemistry. (2012) 23 1941-1951
45 - , Alireza Nowroozi, Ali Ebrahimi, Effect of CH3CO functional group on the molecular and electronic properties of BN43zz nanotube A computational chemistry study , journal of molecular structure-theochem. (2010) -
46 - Alireza Nowroozi, Ab initio and DFT computational studies on molecular conformations and intramolecular hydrogen bonding in 3-mercapto-but-2-enethial , Journal of Sulfur Chemistry. (2010) 31 -
47 - Alireza Nowroozi, The effects of substitutions on structure electron density resonance and intramolecular hydrogen bonding strength in 3-mercapto-propenethial , journal of molecular structure-theochem. (2010) 960 -
48 - Alireza Nowroozi, Intramolecular Hydrogen Bonding in Structural Conformars of 2-Amino Methylene Malonaldehyde AIM and NBO Studies , international journal of quantum chemistry. (2010) 110 -
49 - Alireza Nowroozi, A.F jalbout, , , M Sadeghi, A De Leon, , Hydrogen Bonding in Acetylacetaldehyde Theoritical Insight from the Theory of atoms in Molecules , international journal of quantum chemistry. (2009) -
50 - A.F Jalbout, M Ali Nasiri, , , , Alireza Nowroozi, A De Leon, Molecular Structure and Vibrational Assignment of Chloro Acetylacetone A Density Functional Theory Study , international journal of quantum chemistry. (2009) -
51 - , Alireza Nowroozi, , The Gas Phase Hydrogen-Bonded Dimers of HOGI High-Level Quantum Chemical Study , international journal of quantum chemistry. (2009) -
52 - Alireza Nowroozi, , Hydrogen Bonding in Acetylacetaldehyde Theoretical Insights from the Theory of Atoms in Molecules , international journal of quantum chemistry. (2009) -
53 - , Alireza Nowroozi, The Gas Phase Hydrogen-Bonded Dimers of HOCL A High-LeveQuantum Chemical Study , international journal of quantum chemistry. (2009) -
54 - , Alireza Nowroozi, Interaction Between NH2NO and H2O2 A Quantum Chemistry Study , international journal of quantum chemistry. (2009) -
55 - Alireza Nowroozi, , Confprmational and Tautomeric Preferences in 3-Aminoacrylaldehyde A Theoretical Study , international journal of quantum chemistry. (2009) -
56 - Alireza Nowroozi, , The Competition Between the Intramolecular Hydrogen Bond and -Electron Delocalization in Trifluoroacetylacetone A Theoretical Study , international journal of quantum chemistry. (2009) -
57 - Meissam Noroozifar, Alireza Nowroozi, Cyanisde uptake from wastewater by modified natrolite zeolite-iron oxyhydroxide system Application of isotherm and kinetic models , journal of hazardous materials. (2009) -
58 - , Alireza Nowroozi, , , Theoretical study of solvent effects on the conformational preference in GH2FWH (W 0 S) using PCM and IPCM methods , journal of molecular liquids. (2008) -
59 - Alireza Nowroozi, Vibrational assignment structure and intramolecular hydrogen bond study of 3-amino-1-phenyl-2-buten-1-one , spectrochimica acta part a-molecular and biomolecular spectroscopy. (2006) -
60 - , Alireza Nowroozi, , , Intramolecular hydrogen bond molecular structure and vibrational assignment of tetra-acetylethane A density functional study (ISI) , spectrochimica acta part a-molecular and biomolecular spectroscopy. (2006) -
61 - Alireza Nowroozi, , Strong intramolecular hydrogen bond in triformylmethane ab-initio AIM and NBO study (ISI) , journal of molecular structure-theochem. (2006) -
62 - , Alireza Nowroozi, , , Molecular structure and vibrational assignment of (trifluoroacetyl) acetone A density functional study , journal of molecular structure. (2006) -
63 - Alireza Nowroozi, , , The presentation of an approach for estimational the intramolecular hydrogen bond strength in conformational study of a-Aminocrolein , journal of molecular structure-theochem. (2005) -
64 - , Alireza Nowroozi, , , Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone , spectrochimica acta part a-molecular and biomolecular spectroscopy. (2005) -
65 - , , Alireza Nowroozi, Vibrational assignment and structure of 3-(4-methoxyphenyl) pentane-2 4-dione , journal of molecular structure-theochem. (2005) -