Theoretical Study of Different Solvents and Temperatures Effects on Single-Walled Carbon Nanotube and Temozolomide Drug: A QM/MM Study

Fullerenes Nanotubes and Carbon Nanostructures ◽

10.1080/1536383x.2010.504956 ◽

2011 ◽

Vol 19 (7) ◽

pp. 653-667 ◽

Author(s):

F. Mollaamin ◽

F. Najafi ◽

M. Khaleghian ◽

B. Khalili Hadad ◽

M. Monajjemi

Keyword(s):

Carbon Nanotube ◽

Theoretical Study ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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In search of molecular scale devices: Theoretical study of linearly fused straight single-walled carbon nanotube junctions based on the pentagon/heptagon pair defects

Computational Materials Science ◽

10.1016/j.commatsci.2014.10.049 ◽

2015 ◽

Vol 98 ◽

pp. 201-210 ◽

Author(s):

Anurak Udomvech ◽

Md. Shafiquzzaman ◽

Teerakiat Kerdcharoen

Keyword(s):

Carbon Nanotube ◽

Theoretical Study ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Molecular Scale ◽

Carbon Nanotube Junctions

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Modulation of the Work Function of Capped Single-Walled Carbon Nanotube by Alkali-Metal Adsorption: A Theoretical Study

The Journal of Physical Chemistry C ◽

10.1021/jp200885m ◽

2011 ◽

Vol 115 (18) ◽

pp. 8928-8933 ◽

Author(s):

Shun-Fu Xu ◽

Guang Yuan ◽

Chun Li ◽

Wei-Hui Liu ◽

Hidenori Mimura

Keyword(s):

Carbon Nanotube ◽

Alkali Metal ◽

Work Function ◽

Theoretical Study ◽

Metal Adsorption ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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C6H2@ Single Walled Carbon Nanotube First Principle Theoretical Study: Equivalent Temperature Confinement Effect of Carbon Nanotubes

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2012.2034 ◽

2012 ◽

Vol 9 (3) ◽

pp. 379-383 ◽

Author(s):

Anis Gannouni ◽

Maamar Ouraghi ◽

Salima Boughdiri ◽

Rachida Bessrour ◽

Ahmed Benaboura ◽

...

Keyword(s):

Carbon Nanotubes ◽

Carbon Nanotube ◽

Theoretical Study ◽

Confinement Effect ◽

First Principle ◽

Equivalent Temperature ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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A theoretical study on the interaction of aromatic amino acids with graphene and single walled carbon nanotube

The Journal of Chemical Physics ◽

10.1063/1.3079096 ◽

2009 ◽

Vol 130 (12) ◽

pp. 124911 ◽

Author(s):

Chinagandham Rajesh ◽

Chiranjib Majumder ◽

Hiroshi Mizuseki ◽

Yoshiyuki Kawazoe

Keyword(s):

Amino Acids ◽

Carbon Nanotube ◽

Theoretical Study ◽

Aromatic Amino Acids ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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A First-Principle Theoretical Study of Mechanical and Electronic Properties in Graphene Single-Walled Carbon Nanotube Junctions

Materials ◽

10.3390/ma10111300 ◽

2017 ◽

Vol 10 (11) ◽

pp. 1300 ◽

Author(s):

Ning Yang ◽

Daoguo Yang ◽

Liangbiao Chen ◽

Dongjing Liu ◽

Miao Cai ◽

...

Keyword(s):

Carbon Nanotube ◽

Electronic Properties ◽

Theoretical Study ◽

First Principle ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Carbon Nanotube Junctions

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Behavior of the van der Waals force between a plate and a single-walled carbon nanotube under uniform hydrostatic pressure: a theoretical study

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/ab95d0 ◽

2020 ◽

Vol 32 (40) ◽

pp. 405001

Author(s):

Galin Valchev ◽

Peter Djondjorov ◽

Vassil Vassilev ◽

Daniel Dantchev

Keyword(s):

Carbon Nanotube ◽

Hydrostatic Pressure ◽

Theoretical Study ◽

Van Der Waals ◽

Van Der Waals Force ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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Oxygen Reduction Reaction Mechanisms on Heteroatom-Doped Single-Walled Carbon Nanotube Catalysts: Insights from a Theoretical Study

Journal of The Electrochemical Society ◽

10.1149/2.1071910jes ◽

2019 ◽

Vol 166 (10) ◽

pp. F670-F678 ◽

Author(s):

Ying Wang ◽

Wei Song ◽

Meiqing Li ◽

Zhijian Wu

Keyword(s):

Carbon Nanotube ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Reaction Mechanisms ◽

Theoretical Study ◽

Reduction Reaction ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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Dopamine detection by doped single-walled carbon nanotube biosensors: A theoretical study

Journal of Research in Pharmacy ◽

10.35333/jrp.2019.25 ◽

2019 ◽

Vol 23 (5) ◽

pp. 785-791 ◽

Author(s):

Nosrat MADADI MAHANI

Keyword(s):

Carbon Nanotube ◽

Theoretical Study ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Dopamine Detection

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Theoretical Study of Hydrogen Adsorption on Ru-Decorated (8,0) Single-Walled Carbon Nanotube

The Journal of Physical Chemistry C ◽

10.1021/jp508183t ◽

2014 ◽

Vol 118 (48) ◽

pp. 27672-27680 ◽

Author(s):

Valeria Verdinelli ◽

Estefanía Germán ◽

Carla R. Luna ◽

Jorge M. Marchetti ◽

María A. Volpe ◽

...

Keyword(s):

Carbon Nanotube ◽

Theoretical Study ◽

Hydrogen Adsorption ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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Theoretical study of rhodium doped single walled carbon nanotube to detecting NF3: a first principle study

Materials Letters ◽

10.1016/j.matlet.2021.130980 ◽

2021 ◽

pp. 130980

Author(s):

Gang Hu ◽

Zhengqin Cao ◽

Qiang Yao ◽

Changli Zhou ◽

Gang Wei

Keyword(s):

Carbon Nanotube ◽

Theoretical Study ◽

First Principle ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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