Journal of Nano Simulation

Keyword Index

A

  • AIM A multiscale study of Hydrogen bonding in Geminal Dicationic Ionic liquids 1,3- bis[3-methylimidazolium-1-yl]butane Halides [Volume 1, Issue 1, 2025, Pages 44-56]

D

  • Density Functional Theory Investigating variability in PLGA monomers: A comparative study of electronic properties and their role in drug delivery systems [Volume 1, Issue 1, 2025, Pages 1-8]
  • Density Functional Theory Intramolecular hydrogen bond and tautomeric stability of 5-Bromo-salicylideneiminpo-ethylimino-pentan-2-one [Volume 1, Issue 1, 2025, Pages 9-15]
  • Density Functional Theory Electronic transport behavior of 4,5-bis(2,5-dimethylthiophen-3-yl)furan-2-amine (a Diarylethene) as optical molecular switch: A first-principles approach [Volume 1, Issue 1, 2025, Pages 16-21]
  • Density Functional Theory DFT study on interaction of triacetin with some chemical compounds in cigarette smoke [Volume 1, Issue 1, 2025, Pages 30-43]
  • DFT-NEGF Electronic transport behavior of 4,5-bis(2,5-dimethylthiophen-3-yl)furan-2-amine (a Diarylethene) as optical molecular switch: A first-principles approach [Volume 1, Issue 1, 2025, Pages 16-21]
  • Diarylethene Electronic transport behavior of 4,5-bis(2,5-dimethylthiophen-3-yl)furan-2-amine (a Diarylethene) as optical molecular switch: A first-principles approach [Volume 1, Issue 1, 2025, Pages 16-21]
  • Dipole moment Investigating variability in PLGA monomers: A comparative study of electronic properties and their role in drug delivery systems [Volume 1, Issue 1, 2025, Pages 1-8]

E

  • Electronic transport Electronic transport behavior of 4,5-bis(2,5-dimethylthiophen-3-yl)furan-2-amine (a Diarylethene) as optical molecular switch: A first-principles approach [Volume 1, Issue 1, 2025, Pages 16-21]

G

  • Geminal IL A multiscale study of Hydrogen bonding in Geminal Dicationic Ionic liquids 1,3- bis[3-methylimidazolium-1-yl]butane Halides [Volume 1, Issue 1, 2025, Pages 44-56]

H

  • Hydrogen Shift Hypoxanthine: A DFT Investigation of Tautomerism and Nonlinear Optical Behavior [Volume 1, Issue 1, 2025, Pages 22-29]
  • Hypoxanthine Hypoxanthine: A DFT Investigation of Tautomerism and Nonlinear Optical Behavior [Volume 1, Issue 1, 2025, Pages 22-29]

K

  • Kinetics Hypoxanthine: A DFT Investigation of Tautomerism and Nonlinear Optical Behavior [Volume 1, Issue 1, 2025, Pages 22-29]

M

  • Monomers Investigating variability in PLGA monomers: A comparative study of electronic properties and their role in drug delivery systems [Volume 1, Issue 1, 2025, Pages 1-8]

N

  • NBO DFT study on interaction of triacetin with some chemical compounds in cigarette smoke [Volume 1, Issue 1, 2025, Pages 30-43]
  • Non-Covalent Interaction (NCI) Investigating variability in PLGA monomers: A comparative study of electronic properties and their role in drug delivery systems [Volume 1, Issue 1, 2025, Pages 1-8]

P

  • Polyethylene glycol Investigating variability in PLGA monomers: A comparative study of electronic properties and their role in drug delivery systems [Volume 1, Issue 1, 2025, Pages 1-8]

Q

  • QTAIM DFT study on interaction of triacetin with some chemical compounds in cigarette smoke [Volume 1, Issue 1, 2025, Pages 30-43]

R

  • RDF A multiscale study of Hydrogen bonding in Geminal Dicationic Ionic liquids 1,3- bis[3-methylimidazolium-1-yl]butane Halides [Volume 1, Issue 1, 2025, Pages 44-56]

S

  • Switching behavior Electronic transport behavior of 4,5-bis(2,5-dimethylthiophen-3-yl)furan-2-amine (a Diarylethene) as optical molecular switch: A first-principles approach [Volume 1, Issue 1, 2025, Pages 16-21]

T

  • Tautomerism Intramolecular hydrogen bond and tautomeric stability of 5-Bromo-salicylideneiminpo-ethylimino-pentan-2-one [Volume 1, Issue 1, 2025, Pages 9-15]
  • Tautomerism Hypoxanthine: A DFT Investigation of Tautomerism and Nonlinear Optical Behavior [Volume 1, Issue 1, 2025, Pages 22-29]
  • Tetradentate Schiff bases Intramolecular hydrogen bond and tautomeric stability of 5-Bromo-salicylideneiminpo-ethylimino-pentan-2-one [Volume 1, Issue 1, 2025, Pages 9-15]
  • Triacetin DFT study on interaction of triacetin with some chemical compounds in cigarette smoke [Volume 1, Issue 1, 2025, Pages 30-43]
  • Tunneling Effect Hypoxanthine: A DFT Investigation of Tautomerism and Nonlinear Optical Behavior [Volume 1, Issue 1, 2025, Pages 22-29]

W

  • Wigner Hypoxanthine: A DFT Investigation of Tautomerism and Nonlinear Optical Behavior [Volume 1, Issue 1, 2025, Pages 22-29]