273 search results - page 28 / 55 » On periodicity of two-dimensional words |
JCC
2007
14 years 11 months ago
2007
: This essay provides a perspective on several issues in valence bond theory: the physical significance of semilocal bonding orbitals, the capability of valence bond concepts to e...
JCC
2007
14 years 11 months ago
2007
Abstract: A novel self-organizing algorithm for conformational sampling is introduced, in which precomputed conformations of rigid fragments are used as templates to enforce the de...
JCC
2007
14 years 11 months ago
2007
Abstract: The relative aromaticity of benzenoid rings in the linear polyacenes is investigated using two novel aromaticity approaches. According to the first, the aromaticity of i...
JCC
2007
14 years 11 months ago
2007
: We report a numerical technique that allows the quantum effects of zero-point motion to be incorporated into Pair Distribution Functions calculated classically for molecules usin...
JCC
2007
14 years 11 months ago
2007
: A recent workshop titled ‘‘Quantitative Computational Biophysics’’ at Florida State University provided an overview of the state of the art in quantitative modeling of bi...