Jalili, Seifollah: search on Z-Library

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1

Study of the Influence of Transition Metal Atoms on Electronic and Magnetic Properties of Graphyne Nanotubes Using Density Functional Theory

Alaei, Sholeh, Jalili, Seifollah, Erkoc, Sakir

Journal:

Fullerenes Nanotubes and Carbon Nanostructures

Year:

2015

Language:

english

File:

PDF, 676 KB

english, 2015

2

Study of curcumin behavior in two different lipid bilayer models of liposomal curcumin using molecular dynamics simulation

Jalili, Seifollah, Saeedi, Marzieh

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2015

Language:

english

File:

PDF, 1.27 MB

english, 2015

3

Study of titanium adsorption on perfect and defected BC 3 nanotubes using density functional theory

Jalili, Seifollah, Akhavan, Mojdeh, Schofield, Jeremy

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 844 KB

english, 2013

4

Anesthetics mechanism on a DMPC lipid membrane model: Insights from molecular dynamics simulations

Saeedi, Marzieh, Lyubartsev, Alexander P., Jalili, Seifollah

Journal:

Biophysical Chemistry

Year:

2017

Language:

english

File:

PDF, 1.70 MB

english, 2017

5

Role of Defects on structural and electronic properties of zigzag C3N nanotubes: A first-principle study

Jalili, Seifollah, Molani, Farzad, Akhavan, Mojdeh, Schofield, Jeremy

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2014

Language:

english

File:

PDF, 6.81 MB

english, 2014

6

Study of the electronic properties of Li-intercalated nitrogen doped graphite

Jalili, Seifollah, Vaziri, Raheleh

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 902 KB

english, 2011

7

Molecular dynamics simulations of hydrogen adsorption/desorption by palladium decorated single-walled carbon nanotube bundle

Jalili, Seifollah, Jaberi, Arezou, Mahjani, Mohammad Ghasem, Jafarian, Majid

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 1.29 MB

english, 2012

8

Spin-orbit torque-driven magnetization switching in 2D-topological insulator heterostructure

Soleimani, Maryam, Jalili, Seifollah, Mahfouzi, Farzad, Kioussis, Nicholas

Journal:

EPL (Europhysics Letters)

Year:

2017

Language:

english

File:

PDF, 1.03 MB

english, 2017

9

Investigation into mechanism of orotidine 5′-monophosphate decarboxylase enzyme by MM-PBSA/MM-GBSA and molecular docking

Jamshidi, Shirin, Rafii-Tabar, Hashem, Jalili, Seifollah

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 271 KB

english, 2014

10

DFT investigations on the interaction of oxygen reduction reaction intermediates with Au (100) and bimetallic Au/M (100) (M = Pt, Cu, and Fe) surfaces

Seifollah Jalili, Asghar Zeini Isfahani…

Journal:

International Journal of Industrial Chemistry

Year:

2013

Language:

english

File:

PDF, 874 KB

english, 2013

11

INVESTIGATION OF THE INTERACTION OF HYDROXYL AND HYDROPEROXYL RADICALS WITH ETHENE IN THE PRESENCE OF WATER MOLECULES USING COMPUTATIONAL METHODS

JALILI, SEIFOLLAH, SOLEIMANI, MINA

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 368 KB

english, 2007

12

Ab Initio Study of Defected Single Walled Carbon Nanotubes

Vaez, Amin, Jalili, Seifollah

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2012

Language:

english

File:

PDF, 5.27 MB

english, 2012

13

Effect of point defects on the properties of silicene-like BSi3 sheets from first-principles

Jalili, Seifollah, Akhavan, Mojdeh, Schofield, Jeremy

Journal:

Journal of Physics and Chemistry of Solids

Year:

2016

Language:

english

File:

PDF, 2.18 MB

english, 2016

14

Study of hydrogen-bonded clusters of 2-methoxyphenol–water

Seifollah Jalili, Mojdeh Akhavan

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2007

Language:

english

File:

PDF, 1.39 MB

english, 2007

15

THE EFFECT OF GAS ADSORPTION ON THE ELECTRONIC PROPERTIES OF MgO AND Ca-DOPED MgO

JALILI, SEIFOLLAH, MAJIDI, ROYA, GHAFOORI TABRIZI, KERASOOS

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 291 KB

english, 2007

16

COMPARISON OF MULTIPLE LINEAR REGRESSION AND ARTIFICIAL NEURAL NETWORKS IN PREDICTING OCTANOL/WATER PARTITION COEFFICIENT OF A VARIETY OF ORGANIC MOLECULES

JALILI, SEIFOLLAH, TAFAZZOLI, MOHSEN, JALALI-HERAVI, MEHDI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 323 KB

english, 2003

17

THE EFFECT OF METAL-MOLECULE NANO-CONTACTS WITH DIFFERENT END GROUPS IN MOLECULAR ELECTRONICS

JALILI, SEIFOLLAH, PANGH, ABDOLHAKIM

Journal:

International Journal of Modern Physics B

Year:

2009

Language:

english

File:

PDF, 649 KB

english, 2009

18

A coarse-grained molecular dynamics simulation of a sodium dodecyl sulfate micelle in aqueous solution

Seifollah Jalili, Mojdeh Akhavan

Journal:

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Year:

2009

Language:

english

File:

PDF, 345 KB

english, 2009

19

Computational study of interaction of alkali metals with C3N nanotubes

Molani, Farzad, Jalili, Seifollah, Schofield, Jeremy

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 1.44 MB

english, 2015

20

Ab initio study of Li adsorption in carbon nanotubes functionalized with amine and carboxyl groups

Jalili, Seifollah, Jamali, Maryam, Schofield, Jeremy

Journal:

Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.35 MB

english, 2013

21

Ti-coated BC 2 N nanotubes as hydrogen storage materials

Jalili, Seifollah, Molani, Farzad, Schofield, Jeremy

Journal:

Canadian Journal of Chemistry

Year:

2013

Language:

english

File:

PDF, 1.30 MB

english, 2013

22

Study of orotidine 5′-monophosphate decarboxylase in complex with the top three OMP, BMP, and PMP ligands by molecular dynamics simulation

Jamshidi, Shirin, Jalili, Seifollah, Rafii-Tabar, Hashem

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2015

Language:

english

File:

PDF, 1.20 MB

english, 2015

23

Effects of cholesterol concentration on the interaction of cytarabine with lipid membranes: a molecular dynamics simulation study

Karami, Leila, Jalili, Seifollah

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2015

Language:

english

File:

PDF, 1.27 MB

english, 2015

24

Study of Xe and Kr adsorption on open single-walled carbon nanotubes using molecular dynamics simulations

Seifollah Jalili, Roya Majidi

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2007

Language:

english

File:

PDF, 1.21 MB

english, 2007

25

Study of procaine and tetracaine in the lipid bilayer using molecular dynamics simulation

Jalili, Seifollah, Saeedi, Marzieh

Journal:

European Biophysics Journal

Year:

2017

Language:

english

File:

PDF, 3.18 MB

english, 2017

26

Study of carrier mobility of tubular and planar graphdiyne

Jalili, Seifollah, Houshmand, Fatemeh, Schofield, Jeremy

Journal:

Applied Physics A: Materials Science & Processing

Year:

2015

Language:

english

File:

PDF, 3.89 MB

english, 2015

27

Study of intermolecular contacts in the proline-rich homeodomain (PRH)–DNA complex using molecular dynamics simulations

Seifollah Jalili, Leila Karami

Journal:

European Biophysics Journal

Year:

2012

Language:

english

File:

PDF, 741 KB

english, 2012

28

A computational study of platinum adsorption on defective and non-defective silicon carbide nanotubes

Molani, Farzad, Jalili, Seifollah, Schofield, Jeremy

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2015

Language:

english

File:

PDF, 1.57 MB

english, 2015

29

Structural defects influence on the conductance of strained zigzag graphene nanoribbon

Soleimani, Maryam, Jalili, Seifollah, Mahfouzi, Farzad

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2017

Language:

english

File:

PDF, 1.72 MB

english, 2017

30

Zirconia (110) Surface Adsorption Behavior- A Density Functional Theory Study

Jalili, Seifollah, Keshavarz, Mohammad

Journal:

Computational and Theoretical Chemistry

Year:

2020

File:

PDF, 1.85 MB

2020

31

Monte Carlo simulation of 2-ethoxyethanol in continuum configurational biased procedure: conformational analysis and association in aqueous and non-aqueous media

Mohsen Tafazzoli, Seifollah Jalili

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2002

Language:

english

File:

PDF, 244 KB

english, 2002

32

STUDY OF PROTON TRANSFER BETWEEN CARBON ACIDS AND AMINE BASES USING COMPUTATIONAL METHODS

JALILI, SEIFOLLAH, SOLEIMANI, MINA

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 269 KB

english, 2006

33

Study of base pair mutations in proline-rich homeodomain (PRH)–DNA complexes using molecular dynamics

Jalili, Seifollah, Karami, Leila, Schofield, Jeremy

Journal:

European Biophysics Journal

Year:

2013

Language:

english

File:

PDF, 1.20 MB

english, 2013

34

First principles study on energetic, structural, and electronic properties of defective g-C 3 N 4 -zz3 nanotubes

Jalili, Seifollah, Molani, Farzad, Schofield, Jeremy

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 815 KB

english, 2014

35

Do coordinating and solvating effects of H2explain high concentrations of H3+in interstellar dense clouds? A molecular orbital study of hydrogen cluster ions H3+to H21+

Sakhaee, Nader, Jalili, Seifollah

Journal:

Journal of the Iranian Chemical Society

Year:

2016

Language:

english

File:

PDF, 1.43 MB

english, 2016

36

Salt-Induced Effects on Natural and Inverse DPPC Lipid Membranes: Molecular Dynamics Simulation

Sani, Seyed Mojtaba Rezaei, Akhavan, Mojdeh, Jalili, Seifollah

Journal:

Biophysical Chemistry

Year:

2018

Language:

english

File:

PDF, 10.52 MB

english, 2018

37

STUDY OF INTRAMOLECULAR HYDROGEN BONDING IN ORTHO-SUBSTITUTED ACETANILIDE COMPOUNDS USING COMPUTATIONAL METHODS

JALILI, SEIFOLLAH, AKHAVAN, MOJDEH

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 224 KB

english, 2004

38

Study of atomic and molecular oxygen chemisorption on BC3 nanotubes with Stone–Wales defects using density functional theory

Jalili, Seifollah, Hosseinzadeh, Elaheh, Schofield, Jeremy

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.03 MB

english, 2014

39

CHARGE TRANSPORT THROUGH THIOPHENE BITHIOL MOLECULE AS A MOLECULAR WIRE

JALILI, SEIFOLLAH, MORADI, FERESHTEH

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 255 KB

english, 2005

40

Study of the Alzheimer's Aβ40 peptide in SDS micelles using molecular dynamics simulations

Seifollah Jalili, Mojdeh Akhavan

Journal:

Biophysical Chemistry

Year:

2011

Language:

english

File:

PDF, 1.68 MB

english, 2011

41

Molecular dynamics simulation and free energy analysis of the interaction of platinum-based anti-cancer drugs with DNA

Jalili, Seifollah, Maddah, Mina, Schofield, Jeremy

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 3.85 MB

english, 2016

42

Molecular dynamics simulation of the sliding of distamycin anticancer drug along DNA: interactions and sequence selectivity

Jalili, Seifollah, Maddah, Mina

Journal:

Journal of the Iranian Chemical Society

Year:

2017

Language:

english

File:

PDF, 1.06 MB

english, 2017

43

How intrinsic nuclear nonadiabaticity affects molecular structure, electronic density, and conformational stability: Insights from the multicomponent DFT calculations of Mu/H isotopologues

Goli, Mohammad, Jalili, Seifollah

Journal:

International Journal of Quantum Chemistry

Year:

2018

Language:

english

File:

PDF, 3.88 MB

english, 2018

44

ChemInform Abstract: Efficient and Selective Trimerization of Aryl and Alkyl Isocyanates Catalyzed by Sodium p-Toluenesulfinate in the Presence of TBAI in a Solvent-Free Condition.

Firouz Matloubi Moghaddam, Mohammad G. Dekamin, Mohammad S. Khajavi, Seifollah Jalili

Journal:

Year:

2002

File:

PDF, 28 KB

2002

45

The study of isotope effects of chloroform and chloromethane using vibrational frequencies

Seifollah Jalili, Mojdeh Akhavan

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 153 KB

english, 2006

46

Electronic and Structural Properties of BC 3 Nanotubes with Defects

Jalili, Seifollah, Akhavan, Mojdeh, Schofield, Jeremy

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 460 KB

english, 2012

47

Silver cluster supported on nitrogen-doped graphene as an electrocatalyst with high activity and stability for oxygen reduction reaction

Jalili, Seifollah, Goliaei, Elham Moharramzadeh, Schofield, Jeremy

Journal:

International Journal of Hydrogen Energy

Year:

2017

Language:

english

File:

PDF, 2.19 MB

english, 2017

48

K1.33Mn8O16 as an electrocatalyst and a cathode

Jalili, Seifollah, Moharramzadeh Goliaei, Elham, Schofield, Jeremy

Journal:

Journal of Solid State Chemistry

Year:

2017

Language:

english

File:

PDF, 862 KB

english, 2017

49

Molecular dynamics simulation study of solvation effects of water and trifluoroethanol on gamma-aminobutyric acid (GABA)

Jalili, Seifollah, Amani, Parisa

Journal:

Journal of Molecular Liquids

Year:

2014

Language:

english

File:

PDF, 1.68 MB

english, 2014

50

INVESTIGATION OF HYDROGEN ADSORPTION ON PLATINUM-DECORATED SINGLE-WALLED CARBON NANOTUBE USING MOLECULAR DYNAMICS SIMULATIONS

JALILI, SEIFOLLAH, JABERI, AREZOU, MAHJANI, MOHAMMAD GHASEM, JAFARIAN, MAJID

Journal:

International Journal of Nanoscience

Year:

2009

Language:

english

File:

PDF, 308 KB

english, 2009

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