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configurational isomers

 
National Institutes of Health

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2018
2018
We have developed and implemented a new ab initio code, Ceres (Computational Emulator of Rare Earth Systems), completely written… Expand
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2017
2017
We propose theoretical approach based on combination of graph theory and generalized Ising model (GIM), which enables systematic… Expand
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2016
2016
Configurational polyhedora (CP) is a hyperpolyhedra on multidimensional configuration space, whose vertex (and edges) corresponds… Expand
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2010
2010
The aggregation of hydrogen fluoride vapor is explored through the use of Monte Carlo simulations employing Kohn-Sham density… Expand
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2005
2005
Local minima configurational averaging (CA) and Monte Carlo (MC) simulations are used to examine in detail the variation of… Expand
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1992
1992
The quantum yield, phi ZE, for configurational photoisomerization (4Z,15Z----4Z,15E) of bilirubin bound non-covalently to human… Expand
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