Basic Sciences

Curriculum Vitae

A Brief Description

Nasser L. Hadipour

Date of Birth:   1948

Place of Birth:  Iran

Nationality:        Iranian

Ph.D:                Physical Chemistry 1985 University of Massachusetts at Amherst

MSc:                 Physics 1983 University of Massachusetts at Amherst

MSc:                 Chemistry 1981 Northeastern University at Boston

BSC:                  Chemistry 1976 Sharif University of Technology, Tehran, Iran

Post Doctorate:   1985 – 1986 City University of New York

Visiting Fellow at Institute of Chemistry, Academia Sinica of Taiwan (Sept. 2007- Sept. 2008)

Permanent Position:

Professor of Physical Chemistry

Department of Chemistry

Tarbiat Modares Univesity

P.O.Box14115-175

Tehran, Iran

Contact Information:

E-mail: hadipour@modares.ac.ir and hadipour_n@yahoo.com

Phone: (+886)2 27898679 Office

Phone: (+886)2 26515554 Home

Teaching Experience:

A) Taught Undergraduate Courses:

- Physical Chemistry I & II (Used Texts: Ira N. Levine, P. W. Atkins, and etc.)

- Elementary Quantum Chemistry (Used Text: Ira N. Levine, up to Chapter 6)

- Basic Molecular Spectroscopy (Used Text: W. Banvel)

- General Chemistry I & II

B) Taught Graduate Courses (Master and Ph.D in Physical Chemistry):

- Advanced Physical Chemistry (Used Texts: H. Callen, F. Wall, and etc.)

- Quantum Chemistry I, II & III (Used Texts: Ira. N. Levine, S. Gasirowicz,P.

W. Atkins, and etc.)

- Statistical Thermodynamics I & II (Used Texts: F. Reif, D. McQuarri, T. Hill,

and etc.)

- Molecular Spectroscopy (Used Text: Ira N. Levine)

- NMR Spectroscopy (Used Text: C. P. Slichter, and etc.)

Research Interests:

The main goal of our 8 members (5 Ph.D and 3 M.Sc. students) research group is study of hydrogen-bonds in crystalline phases. Our tools include calculation of nuclear quadrupole resonance (NQR) and nuclear magnetic shielding parameters using ab initio and DFT methods.

We perform these studies on:

1- Nucleic acid bases

2- Chitin and Chitosans

3- Histidin rich protein II and its complex with heme (the fundamental protein

responsible for oxidation of iron(II) of heme in malaria disease)

4- Molecular dynamic investigation of the repetitive segments of Hhistidin rich

protein II.

5-Nanotubs

List of Publications:

[59] ¹⁵N Chemical Shift Calculations and Natural Bonding Orbital Analyses of (Benzamide)n=1-6 Clusters

M.D. Esrafili, J. Beheshtian, N.L. Hadipour, Journal of Theoretical and Computational Chemistry, in press.

 [47] Role of spin state on the geometry and nuclear quadrupole resonance parameters in hemin complex

H. Behzadi, M. D. Esrafili, D. van der spoel, G. Parsafar, N. L. Hadipour,Biophysical Chemistry2008, 134, 200-206.

[46] DFT calculations of oxygen, nitrogen and hydrogen NMR parameters to study the C-H⋯O hydrogen bond in crystalline structure of 4-methylpyridine-N-oxide 

M. Mirzaei, N.L. Hadipour, Polish Journal of Chemistry 2008, 82, 1091-1096 

[45] Density Functional Theory Study of Boron Nitride Nanotubes: Calculations of

the N-14 and B-11 NQR Parameters.

Z. Bagheri, M. Mirzaei, N. L. Hadipour, and M. R. Abolhassani, Journal of Computational and Theoretical Nanoscience 2008, 5, 614-618

[44] Density functional study of zigzag BN nanotubes with equivalent ends 

M. Mirzaei, N. L. Hadipour, A. Seif, M. Giahi, Physica E: Low-Dimensional Systems and Nanostructures 2008, 40, 3060-3063

[43] A computational NQR study on the hydrogen-bonded lattice of cytosine-5-

acetic acid

M. Mirzaei and N. L. Hadipour, Journal of Computational Chemistry 2008, 29, 832-838.

[42] Study of hydrogen bonds in N-methylacetamide by DFT calculations of oxygen, nitrogen, and hydrogen solid-state NMR parameters 

M. Mirzaei, N. L. Hadipour, Structural Chemistry 2008, 19, 225-232

[41] Density Functional Theory Study of N-H···O, O-H···O and C-H···O Hydrogen-

Bonding Effects on the ¹⁴N and ²H Nuclear Quadrupole Coupling Tensors of N-Acetyl-

Valine.

M. D. Esrafili, H. Behzadi, and N. L. HadipourBiophysical Chemistry2008, 133, 11-18.

[40] Density functional calculations of oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors to study hydrogen bonding properties of peptide group (O=C-NH) in crystalline acetamide

Z. Samadi, M. Mirzaei, N.L. Hadipour, S. Abedini Khorami,  Journal of Molecular Graphics and Modelling 2008, 26, 977-981

[39] Density functional calculations of ¹⁴N and ¹¹B NQR parameters in the H-capped

(6,0) and (4,4) single-walled BN nanotubes.

M. Mirzaei and N. L. Hadipour, Physica E: Low-Dimensional Systems and Nanostructures 2008, 40, 800-804.

[38] Synthesis and structural characterization of diorganotin(IV) complexes with 2,6-pyridinedicarboxylic acid 

A.Azadmehr, M.M. Amini, N. Hadipour, H.R. Khavasi, H.-K. Fun, C.-J. Chen, Applied Organometallic Chemistry 2008, 22, 19-24

[37] Density functional theory study of binding energies, ⁷Li nuclear magnetic shielding, and electric field gradient tensors on the small clusters of LinHm (m ≤ n ≤ 4) 

M.D. Esrafili, F. Elmi, N. L. Hadipour, Journal of Theoretical and Computational Chemistry 2007, 6, 959-973.

[36] Theoretical investigation of hydrogen bonding effects on oxygen, nitrogen, and ydrogen chemical shielding and electric field gradient tensors of chitosan/HI salt 

S. Khodaei, N. L. Hadipour, M.R. Kasaai, Carbohydrate Research 2007, 342, 2396-2403

[35] A density functional study of ¹⁴N NQR parameters of imidazole derivatives and extrapolation to PfHRP2-Fe3+-PPIX complex 

Sareh M. Nasseri, Nasser L. Hadipour and Alireza Mohebbi, Journal of Molecular Structure: THEOCHEM 2007, 820, 48-52.

[34] Influence of N-H…O and O-H…O hydrogen bonds on the ¹⁷O, ¹⁵N and ¹³C

chemical shielding tensors in crystalline acetaminophen: A density functional theory

study.

Mehdi D. Esrafili, Hadi Behzadi and Nasser L. Hadipour, Biophysical Chemistry 2007,128, 38-45.

[33] Study of Hydrogen Bonds in 1-Methyluracil by DFT Calculations of Oxygen,

Nitrogen, and Hydrogen Quadrupole Coupling Constants and Isotropic Chemical

Shifts.

M. Mirzaei, N. L. Hadipour Chemical Physics Letters, 2007,438, 304-307.

[32] Investigation of the effects of ionic hydrogen bonds (C=O-...H-C and + N-H…-

O=C) in crystalline DL-Proline by ab initio and DFT calculated NQR parameters.

S. M. Nasseri, N. L. Hadipour, A. Mohebbi, Journal of Molecular Structure, 2007,846,119-122.

[31] A Theoretical Study of ¹⁷O, ¹⁴N and 2H Nuclear Quadrupole Coupling Tensors

in the Real Crystalline Structure of Acetaminophen

H. Behzadi, M. D. Esrafili, N. L. Hadipour,Chemical Physics2007, 333, 97-104.

[30] Influence of C-Doping on the B-11 and N-14 Quadrupole Coupling Constants in

Boron-Nitride Nanotubes: A DFT Study.

M. Mirzaei, N. L. Hadipour, and M. R. Abolhassani Z. Naturforsch., 2007, 62a, 1.

[29] Density Functional Theory Investigation of Hydrogen Bonding Effects on the

Oxygen, Nitrogen and Hydrogen Electric Field Gradient and Chemical Shielding

Tensors of Anhydrous Chitosan Crystalline Structure

M. D. Esrafili, F. Elmi, N. L. Hadipour, Journal Physical Chemistry A 2007, 111, 963.

[28] Investigation of C-H…O=C and N-H…O=C Hydrogen-Bonding Interactions in

Crystalline Thymine by DFT Calculations of O-17, N-14 and H-2 NQR Parameters

M. Mirzaei, N. L. Hadipour, and K. Ahmadi Biophysical Chemistry 2007, 125,414.

[27] A Density Functional Study of 17O, 14N and 2H Electric Field Gradient Tensors

in the Real Crystalline Structure of _-Glycine

H. Behzadi, N. L. Hadipour, and M. Mirzaei Biophysical Chemistry 2007, 125, 179.

[26] The C−H…O Hydrogen Bonding Effects on the 17O Electric Field Gradient and

Chemical Shielding Tensors in Crystalline 1-Methyluracil: A DFT Study

T. Partovi, M. Mirzaei, and N. L. Hadipour, Z. Naturforsch. 2006, 61a, 383.

[25] A Systematic Investigation of Hydrogen-Bonding Effects on the 17O, 14N and 2H

Nuclear Quadrupole Resonance Parameters of Anhydrous and Monohydrated

Cytosine Crystalline Structures: A Density Functional Theory Study

M. Mirzaei, F. Elmi, and N. L. HadipourJournal of Physical Chemistry B 2006, 110,

10991.

[24] An Investigation of Hydrogen-Bonding Effects on the Nitrogen and Hydrogen

Electric Field Gradient and Chemical Shielding Tensors in the 9-Methyladenine

Real Crystalline Structure: A Density Functional Theory Study

M. Mirzaei and N. L. HadipourJournal of Physical Chemistry A 2006, 110, 4833.

[23] Correlation between NQR Parameters and Residue Size of Aliphatic Amino

Acids and their Dimers

A. Ghaderi, H. Sabzyan, N. L. Hadipour Biophysical Chemistry 2006, 12, 62.

[22] Structural Elucidation of {[(CH3)2SnCl2·H2O]2·18-crown-6}n and its Hydrogen

Bonding in Solution by HMBC Spectroscopy

M. Amini, A. Azadmher, N. L. Hadipour Journal of Inclusion Phenomena and Macrocyclic

Chemistry 2006, 54 No. 1-2, 77.

[21] A Study on the Intermolecular Hydrogen Bonds of -Glycylglycine in Its Actual

Crystalline Phase Using ab Initio Calculated 14N and 2H Nuclear Quadrupole

Coupling Constants

F. Elmi and N. L. Hadipour, Journal of Physical Chemistry A 2005, 109, 1729.

[20] The Role of Charge Distribution on the Antimalarial Activity of Artemisinin

Analogues

M. A. Rafiee, N. L. Hadipour, H. Naderi-manesh Journal of Chemical Information and

Modeling 2005, 45, 366.

[19] Ab initio Calculations of the Nuclear Quadrupole Coupling Constants of BHn =

2, 4X+ (X = NH3, PH3, H2O, H2S)

T. Partovi, M. A. Rafiee, N. L. HadipourZ. Naturforsch. 2005, 60a, 37.

[18] A Correlation Study of Quinoline Derivatives and their Pharmaceutical

Behavior by ab initio Calculated NQR Parameters

M. A. Rafiee, N. L. Hadipour, H. Naderi-manesh Journal of Computer-Aided Molecular

Design 2004, 18, 215.

[17] A Study of Hydrogen Bond of Imidazole and its 4-Nitro Derivative by ab initio

and DFT Calculated NQR Parameters

S. K. Amini, N. L. Hadipour, F. Elmi Chemical Physics Letters 2004, 391, 95.

[16] Self-association study of methanol in CCl4 by FT-NMR spectroscopy

H. Shekaari, H. Modarres, N. Hadipour Iranian Journal of Science and Technology 2004,

28, 701

[15] Thermodynamic Investigation on Self-Association of Alcohols in Carbon

Tetrachloride by FT-NMR Spectroscopy

H. Shekaari, H. Modarress, N. Hadipour Journal of Physical chemistry A 2003, 107,

1891.

[14] Investigation Hydrogen-Bonding Capabilities of Modified Amide Groups Using

Calculated Nuclear Quadruple Coupling Constants

F. Elmi, N. L. Hadipour, F. Safinezhad Chemical Physics Letters 2003, 375, 273.

[13] A New Method for Distinguishing Between Al2X6 (X=Cl, Br) Conformers Based

on ab initio Calculated Nuclear Quadrupole Coupling Constants

N. L. Hadipour, F. Elmi Chemical Physics Letters 2003, 371, 56.

[12] A Theoretical Study (ab-initio) on Various Structures of {CH3N2

+(H2)n=1–9} by

Calculating NQR Parameters

N. L. Hadipour, M. A. Rafiee, M. Javaheri Chemical Physics Letters 2002, 366, 578.

[11] ab initio Calculations of NQR 35Cl Frequency in Organo-Germanium Chlorides

and its Dependency on Ge–O Distance

N. L. Hadipour, M. A. Rafiee, M. Javaheri, M. K. Mousavie Chemical Physics Letters

2002, 356, 445.

[10] Semi-Empirical Quantum Mechanical Calculations of Electronic Distribution

and NQR Parameters of Bromine Atoms in Some Organic and Inorganic

Compounds

N. L. Hadipour, S. Javadian Journal of Molecular Structure 2000, 525, 129.

[9] Quantitation of Model Digestive Mixtures by ¹³C NMR

D. Wang, N. L. Hadipour, E. A. Jerlin, R. E. Stark Journal of Lipid Research 1992, 33,

431.

[8] A Deuterium NQR Study of Imidazolidone, Imidazolidone Hemihydrate,

Phthalimide, and Benzamide

R. O. Day, N. L. Hadipour, J. L. Ragle Journal of Magnetic Resonance, 1986, 67, 466.

[7] Deuterium NQR spectra: dipolar interaction between two quadrupolar nuclei.

N. Hadipour, J. L. Ragle Z. Naturforsch 1985, 40a, 355.

[6] Deuterium NQR study and X-ray structural determination of 2-imidazolidon.

N. Hadipour, R. O. Day, J. L. Ragle Journal of crystal spectroscopy research 1985.

[5] Deuterium NQR Study of Phenylphosphonic Acid and Two Ternary Cocrystals

of Pyridine, Catechol, and Phenylphosphonic Acid

R. O. Day, N. Hadipour, J. L. Ragle Journal of Magnetic Resonance 1984, 59, 373.

[4] Deuterium Double-Transition Quadrupole-Resoname Spectra and the

Structures of Catechol, Resorcinol, and Hydroquinone

R. O. Day, N. Hadipour, J. L. Ragle Journal of Magnetic Resonance 1984, 57, 369.

[3] Assignment of the Deuteron NQR Spectrum of Hydroquinone-(O)-D2

N. Hadipour and J. L. Ragle Journal of Molecular Structure 1983, 111, 17.

[2] Effect of Electric Fields on the Thermal Decomposition of Calcium Carbonate

K. J. D. Mackenzie and N. Hadipour Thermochimica Acta 1980, 35, 227.

[1] Formation Kinetics of Portland Clinker Phases III B- Dicalcium Silicate and

Tricalcium Silicat

N. L. Hadipour, K. J. D. Mackenzie Trans. J. Br. Ceram. Soc. 1978,77(6), 168.