- Recent articles
- Books
- RM1 x AM1, PM3, PM5
- RM1 software
- RM1 research topics
- QSAR
- ADME-Tox
- Barrier height
- Binding Affinities
- Calixarene
- Cavitand
- CI
- Charges
- Chemical Reactions
- Corrosion Inhibition
- Dispersion
- DNA/RNA
- Docking
- Drug design
- Electrochemistry
- Electron affinity
- Electrostatic Potential
- Enthalpies
- Explosives
- Geometry
- Hydrogen bond RM1_BH
- Inclusion Compounds
- Isotope effect
- Langmuir
- Lanthanide Complexes
- Lanthanides
- Liquid Crystals
- Luminescence
- Natural products
- NMR
- Nanotechnology
- Nonlinear optics
- Optics
- Photochemistry
- pKa
- Polarized MO
- Polymers
- Proteins
- Proton transfer
- QM/MM
- Rare earth metals
- RM1/AM1
- RM1-COSMO
- RM1-SCI
- Self-assembly
- Solvation
- Superdelocalizability
- Vibrations
- FAQ
- Sponsors
- Contact
Fullerenes nanotubes and carbon nanostructures
Synthesis of Polycyclic Aromatic Hydrocarbon-Based Nanovehicles Equipped with Triptycene Wheels
Authors: Henri-Pierre Jacquot de Rouville, Romain Garbage, Rita E. Cook, Adeline R. Pujol, Agnès M. Sirven, and GwØnaël Rapenne
Publication year: 2012
Journal / Book title: Chemistry A European Journal
Excerpt from the article:

Toward Mechanosynthesis of Diamondoid Structures: III. Quantum-Chemical Study of Silylene Molecule and Silicon Atom Transfer Mechanism from Caped SWCNT STM Tip to the Reaction Center on a Hydrogenated Si(111) Surface
Authors: Aleksander Herman
Publication year: 2009
Journal / Book title: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
Excerpt from the article:

