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configurational isomers

National Institutes of Health

Papers overview

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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… 
2018
2018
  • Koretaka Yuge
  • Transactions of the Materials Research Society of…
  • 2018
  • Corpus ID: 119084443
We propose theoretical approach based on combination of graph theory and generalized Ising model (GIM), which enables systematic… 
2016
2016
Configurational polyhedora (CP) is a hyperpolyhedra on multidimensional configuration space, whose vertex (and edges) corresponds… 
2010
2010
The aggregation of hydrogen fluoride vapor is explored through the use of Monte Carlo simulations employing Kohn-Sham density… 
2005
2005
Local minima configurational averaging (CA) and Monte Carlo (MC) simulations are used to examine in detail the variation of… 
1992
1992
Abstract— The quantum yield, φZE, for configurational photoisomerization (4Z,15Z→ 4Z,15E) of bilirubin bound non‐covalently to…