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在“
Elsevier电子期刊
”中,
命中:
123
条,耗时:小于0.01 秒
在所有数据库中总计命中:
2,936
条
1.
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 A
rmak
ović
g
;
Sanja J. A
rmak
ović
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
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 A
rmak
ović
b
;
Sanja J. A
rmak
ović
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 A
rmak
ović
f
;
Sanja J. A
rmak
ović
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.
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 A
rmak
ović
e
;
Sanja J. A
rmak
ović
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
5.
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 A
rmak
ović
b
;
Sanja J. A
rmak
ović
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
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 A
rmak
ović
e
;
Sanja J. A
rmak
ović
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.
Uncommon structure making/breaking behaviour of cholinium taurate in water
作者:
Slobodan Gadžurić
;
Aleksandar Tot
;
Stevan A
rmak
ović
;
Sanja A
rmak
ović
;
Jovana Panić
;
Branislav Jović
;
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
8.
Changes in the lower lip soft tissue after bone graft harvesting from the mandibular symphysis
作者:
N. Altipa
rmak
1
;
B.S. Akdeniz
2
;
bsakdeniz@hotmail.com
;
S.S. Akdeniz
1
;
S. Uç
;
kan
3
关键词:
lower incisor exposure
;
chin ptosis
;
lower lip ptosis
;
bone graft harvesting
刊名:International Journal of Oral and Maxillofacial Surgery
出版年:2017
9.
Hox2 Genes Are Required for Tonotopic Map Precision and Sound Discrimination in the Mouse Auditory Brainstem
作者:
Kajari Ka
rmak
ar
1
;
2
;
3
;
4
;
Yuichi Narita
1
;
3
;
5
;
Jonathan Fadok
1
;
Sebastien Ducret
1
;
Alberto Loche
1
;
2
;
Taro Kitazawa
1
;
Christel Genoud
1
;
Thomas Di Meglio
1
;
6
;
Raphael Thierry
1
;
Joao Bacelo
1
;
7
;
Andreas Lü
;
thi
1
;
2
;
Filippo M. Rijli
1
;
2
;
8
;
filippo.rijli@fmi.ch
关键词:
tonotopic map formation
;
homeodomain transcription factors
;
brainstem auditory nuclei development
;
glutamatergic cochlear neurons
;
bushy cells
;
endbulb of held
;
sound frequency discrimination
;
auditory circuit refinement
刊名:Cell Reports
出版年:2017
10.
Optoelectronic properties of curved carbon systems
作者:
Stevan A
rmak
ović
a
;
stevan.a
rmak
ovic@df.uns.ac.rs" class="auth_mail" title="E-mail the corresponding author
;
Sanja J. A
rmak
ović
b
;
Slawomir Koziel
c
;
d
刊名:Carbon
出版年:2017
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