RM1/AM1 mixed models

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

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rm1 am1 mixed models

Towards Mechanosynthesis of Diamondoid Structures: IV. The Strategy for Preliminary Implementation of Ellenbogen’s “Matter as Software” Concept

Authors: Aleksander Herman
Publication year: 2010
Journal / Book title: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE

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rm1 am1 silylene

Experimentally Validated Model for the Prediction of the HOMO and LUMO Energy Levels of Boronsubphthalocyanines

Authors: Graham E. Morse, Michael G. Helander, Jason Stanwick, Jennifer M. Sauks, Andrew S. Paton, Zheng-Hong Lu, and Timothy P. Bender
Publication year: 2011
Journal / Book title: Journal of Physical Chemistry C

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rm1 am1 boron phtalocyanines

Toward Mechanosynthesis of Diamondoid Structures: VII. Simple Strategy of Building Atomically Perfect SPM Tip Through Attachment of C60 Molecule to Commercial Silicon Tip by Controlled Hydrogen Atom Desorption from Tip Asperity Si(111) Silicon Surface

Authors: Aleksander Herman
Publication year: 2012
Journal / Book title: Journal of Computational and Theoretical Nanoscience

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rm1 am1 mechanosynthesis silicon surface