First-principles study of the electronic and molecular structure of protein nanotubes

2001 ◽  
Vol 64 (11) ◽  
Author(s):  
Hajime Okamoto ◽  
Kyozaburo Takeda ◽  
Kenji Shiraishi
Keyword(s):  
Molecular Structure ◽  
First Principles ◽  
First Principles Study ◽  
Protein Nanotubes

Structure-dependent luminescence of tetra-(4-pyridylphenyl)ethylene: a first-principles study

2018 ◽  
Vol 20 (1) ◽  
pp. 41-45 ◽  
Author(s):  
Ziye Wu ◽  
Guozhen Zhang ◽  
Edward Sharman ◽  
Peng Cui ◽  
Jun Jiang
Keyword(s):  
Molecular Structure ◽  
First Principles ◽  
Fluorescence Properties ◽  
Tddft Calculations ◽  
First Principles Study ◽  
The Relationship

The relationship between the molecular structure and fluorescence properties of TPPE was investigated by TDDFT calculations.

First-Principles Study on Electronic Structures of Protein Nanotubes

1998 ◽  
Vol 67 (11) ◽  
pp. 3751-3760 ◽  
Author(s):  
Katsuhiko Fukasaku ◽  
Kyozaburo Takeda ◽  
Kenji Shiraishi
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
First Principles Study ◽  
Protein Nanotubes

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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