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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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