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SpringerLink电子期刊(2)
Elsevier电子期刊(12)
在“
Elsevier电子期刊
”中,
命中:
12
条,耗时:小于0.01 秒
在所有数据库中总计命中:
14
条
1.
Uncommon structure making/breaking behaviour of cholinium taurate in water
作者:
Slobodan Gadžuri
ć
;
Aleksandar Tot
;
Stevan
Armaković
;
Sanja
Armaković
;
Jovana Pani
ć
;
Branislav Jovi
ć
;
Milan Vrane&scaron
;
;
milan.vranes@dh.uns.ac.rs
关键词:
Ionic liquids
;
Choline
;
Taurine
;
Volumetric properties
;
Transport properties
;
Molecular dynamics
刊名:The Journal of Chemical Thermodynamics
出版年:2017
2.
Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations
作者:
Shargina Beegum
a
;
Y. Sheena Mary
a
;
sypanicker@rediffmail.com
;
Hema Tresa Varghese
a
;
C. Yohannan Panicker
a
;
Stevan
Armaković
b
;
Sanja
J.
Armaković
c
;
Jan Zitko
d
;
Martin Dolezal
d
;
C. Van Alsenoy
e
关键词:
DFT
;
Carbomaxide
;
ALIE
;
RDF
;
BDE
;
Docking
刊名:Journal of Molecular Structure
出版年:2017
3.
Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole
作者:
Y. Sheena Mary
a
;
;
Mona M. Al-Shehri
b
;
K. Jalaja
c
;
d
;
Fatmah A.M. Al-Omary
b
;
Ali A. El-Emam
b
;
C. Yohannan Panicker
e
;
sypanicker@rediffmail.com
;
Stevan
Armaković
f
;
Sanja
J.
Armaković
g
;
Ozlem Temiz-Arpaci
h
;
C. Van Alsenoy
i
关键词:
DFT
;
Benzoxazole
;
ALIE
;
RDF
;
BDE
;
Docking
刊名:Journal of Molecular Structure
出版年:2017
4.
Studies on the synthesis, spectroscopic analysis, molecular docking and DFT calculations on 1-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazol 3-oxide
作者:
K.B. Benzon
a
;
Mary Y. Sheena
a
;
sypanicker@rediffmail.com
;
C. Yohannan Panicker
a
;
;
Stevan
Armaković
b
;
Sanja
J.
Armaković
c
;
Kiran Pradhan
d
;
Ashis Kumar Nanda
d
;
C. Van Alsenoy
e
关键词:
DFT
;
Imidazole
;
Hyperpolarizability
;
MEP
;
Molecular docking
刊名:Journal of Molecular Structure
出版年:2017
5.
Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole
作者:
Vidya V. Menon
a
;
b
;
Egemen Foto
c
;
Y. Sheena Mary
d
;
sypanicker@rediffmail.com
;
Esin Karatas
e
;
C. Yohannan Panicker
d
;
Gö
;
zde Yalcin
f
;
Stevan
Armaković
g
;
Sanja
J.
Armaković
h
;
C. Van Alsenoy
i
;
Ilkay Yildiz
e
关键词:
DFT
;
Benzimidazole
;
ALIE
;
RDF
;
BDE
;
Docking
刊名:Journal of Molecular Structure
出版年:2017
6.
Vibrational spectroscopic investigations, molecular dynamic simulations and molecular docking studies of N′-diphenylmethylidene-5-methyl-1H-pyrazole-3-carbohydrazide
作者:
Renjith Raveendran Pillai
a
;
Vidya V. Menon
b
;
c
;
Y. Shyma Mary
d
;
Stevan
Armaković
e
;
Sanja
J.
Armaković
f
;
C. Yohannan Panicker
a
;
d
;
cyphyp@rediffmail.com
关键词:
DFT
;
Pyrazine
;
Molecular dynamics
;
FT-IR
;
FT-Raman
;
Docking
刊名:Journal of Molecular Structure
出版年:2017
7.
Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations
作者:
Javeed Ahmad War
a
;
K. Jalaja
b
;
c
;
Y. Sheena Mary
d
;
sypanicker@rediffmail.com
;
C. Yohannan Panicker
d
;
Stevan
Armaković
e
;
Sanja
J.
Armaković
f
;
Santosh Kumar Srivastava
a
;
C. Van Alsenoy
g
关键词:
DFT
;
Thiourea
;
RDF
;
ALIE
;
Optoelectronics
;
Docking
刊名:Journal of Molecular Structure
出版年:2017
8.
Optoelectronic properties of curved carbon systems
作者:
Stevan
Armaković
a
;
stevan.
armakovi
c@df.uns.ac.rs" class="auth_mail" title="E-mail the corresponding author
;
Sanja
J.
Armaković
b
;
Slawomir Koziel
c
;
d
刊名:Carbon
出版年:2017
9.
Structuring of water in the new generation ionic liquid - Comparative experimental and theoretical study
作者:
Milan Vrane&scaron
;
Stevan
Armaković
;
Aleksandar Tot
;
Snežana Papovi
ć
;
Neboj&scaron
;
a Zec
;
Sanja
Armaković
;
Nemanja Bani
ć
;
Biljana Abramovi
ć
;
Slobodan Gadžuri
ć
;
slobodan.gadzuric@dh.uns.ac.rs" class="auth_mail" title="E-mail the corresponding author
关键词:
Ionic liquids
;
Structure makers
;
Molecular dynamics
;
Density functional theory
;
Kosmotropicity
;
Salicylate
刊名:Journal of Chemical Thermodynamics
出版年:2016
10.
Structure making properties of 1-(2-hydroxylethyl)-3-methylimidazolium chloride ionic liquid
作者:
Milan Vrane&scaron
;
Aleksandar Tot
;
Stevan
Armaković
;
Sanja
Armaković
;
Slobodan Gadžuri
ć
;
slobodan.gadzuric@dh.uns.ac.rs" class="auth_mail" title="E-mail the corresponding author
关键词:
Ionic liquids
;
Volumetric properties
;
Molecular dynamics
;
Viscosity
;
Conductivity
刊名:Journal of Chemical Thermodynamics
出版年:2016
1
2
按检索点细分(12)
作者(12)
按出版年细分(12)
2017年(8)
2016年(4)
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