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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
Excerpt from the article:
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
Excerpt from the article:
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
Excerpt from the article:
