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在“
Elsevier电子期刊
”中,
命中:
15
条,耗时:小于0.01 秒
在所有数据库中总计命中:
2
条
1.
Quantum chemical investigation of structural and electronic properties of trans- and cis-structures of some azo dyes for dye-sensitized solar cells
作者:
Samaneh Bagheri Novir
a
;
samaneh_bn83@yahoo.com
;
sa_bagheri@chem.iust.ac.ir
;
Seyed
Majid
Hashemianzadeh
b
关键词:
Dye sensitized solar cells
;
Azo dye
;
DFT
;
TDDFT
;
Charge transfer
刊名:Computational and Theoretical Chemistry
出版年:2017
2.
The compatibility of Tacrine molecule with poly(n-butylcyanoacrylate) and Chitosan as efficient carriers for drug delivery: A molecular dynamics study
作者:
Mahboobeh Eslami
a
;
Sousa Javan Nikkhah
b
;
Seyed
Majid
Hashemianzadeh
a
;
hashemianzadeh
@iust.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
hashemianzadeh
@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Seyed Abolfazl Seyed Sajadi
a
关键词:
Tacrine
;
Molecular dynamics simulation
;
Polymeric nanoparticles
;
Drug carrier
刊名:European Journal of Pharmaceutical Sciences
出版年:2016
3.
Boron nitride nanotube as a delivery system for platinum drugs: Drug encapsulation and diffusion coefficient prediction
作者:
Zahra Khatti
;
Seyed
Majid
Hashemianzadeh
;
hashemianzadeh
@iust.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
hashemianzadeh
@gmail.com" class="auth_mail" title="E-mail the corresponding author
关键词:
Boron nitride nanotube
;
Molecular dynamics simulation
;
Carboplatin
;
Drug delivery
;
Encapsulation
刊名:European Journal of Pharmaceutical Sciences
出版年:2016
4.
Encapsulation of cisplatin as an anti-cancer drug into boron-nitride and carbon nanotubes: Molecular simulation and free energy calculation
作者:
Sara Roosta
a
;
Seyed
Majid
Hashemianzadeh
a
;
hashemianzadeh
@iust.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
Sepideh Ketabi
b
;
sepidehketabi@yahoo.com" class="auth_mail" title="E-mail the corresponding author
关键词:
Monte Carlo simulation
;
Encapsulation
;
Boron-nitride nanotube
;
Carbon nanotube
;
Solvation free energy
刊名:Materials Science & Engineering C
出版年:2016
5.
Molecular dynamics simulation of single-walled silicon carbide nanotubes immersed in water
作者:
Fariba Taghavi
;
Soheila Javadian
;
Seyed
Majid
Hashemianzadeh
关键词:
Molecular dynamics simulation
;
Single-walled silicon carbide nanotube (SWSiCNT)
;
Confined water
;
Radial density profile
;
Diffusion coefficient (D)
刊名:Journal of Molecular Graphics and Modelling
出版年:2013
6.
The study of polymer-surfactant interaction in catanionic surfactant mixtures
作者:
Behnoosh Tajik
;
Beheshteh Sohrabi
;
Reza Amani
;
S.
Majid
Hashemianzadeh
关键词:
PEG
;
Surface tension
;
Critical aggregation concentration
;
Enthalpy&ndash
;
entropy compensation
;
Surfactant/polymer binding
刊名:Colloids and Surfaces A: Physicochemical and Engineering Aspects
出版年:2013
7.
Phase transition study of confined water molecules inside carbon nanotubes: Hierarchical multiscale method from molecular dynamics simulation to ab initio calculation
作者:
Soheila Javadian
a
;
javadian_s@modares.ac.ir
;
javadians@yahoo.com
;
Fariba Taghavi
a
;
Faramarz Yari
b
;
Seyed
Majid
Hashemianzadeh
c
;
hashemianzadeh
@yahoo.com
关键词:
Confined water
;
Ice nanotubes (ice NTs)
;
Phase transition
;
Molecular dynamics (MD) simulation
;
Natural bond orbital (NBO)
;
Nuclear quadrupole resonance (NQR)
刊名:Journal of Molecular Graphics and Modelling
出版年:2012
8.
Monte Carlo simulation of binary surfactant/contaminant/water systems
作者:
Zahra Khodadadi
a
;
S. Morteza Mousavi-Khoshdel
c
;
Hussein Gharibi
a
;
b
;
h.gharibi@gmail.com
;
h.gharibi@utah.edu
;
Seyed
Majid
Hashemianzadeh
c
;
Sohaila Javadian
a
关键词:
Lattice Monte Carlo
;
Surfactant mixture
;
Contaminant
;
Solubilization
;
Synergism
;
Antagonism
刊名:Journal of Molecular Graphics and Modelling
出版年:2012
9.
Computational model of hydrogen production by Coumarin-dye-sensitized water splitting to absorb the visible light in a local electric field
作者:
Morteza Moghimi Waskasi
;
Seyed
Majid
Hashemianzadeh
;
Omolbanin (Setare) Mostajabi Sarhangi
;
Asqar Pourhassan Harz
i
关键词:
Dye-sensitized water splitting
;
Time-dependent density functional theory
;
Coumarin dye
;
Electric field
;
Electronic structure
刊名:Energy Conversion and Management
出版年:2012
10.
Density functional theory study of carbon monoxide adsorption on the inside and outside of the armchair single-walled carbon nanotubes
作者:
K. Azizi
a
;
azizkhald822@yahoo.com
;
S.
Majid
Hashemianzadeh
b
;
Sh. Bahramifar
a
关键词:
Density functional theory (DFT) calculations
;
Carbon monoxide
;
Armchair single-walled carbon nanotubes (SWCNTs)
;
Physisorption
刊名:Current Applied Physics
出版年:2011
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