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Recent Posts

New LVPP sigma-profile database with NWChem at the DFT/B3LYP/def2-SVPD level of theory
Prediction of Progesterone Solubility by Modern Quasi-Chemical and Classical Group Contribution Models
Recent Improvements to the NWChem COSMO Module
On Sinkhorn’s DAD theorem and the self-consistency equation in COSMO-based activity coefficient models
Development of a COSMO-SAC Parametrization with Advanced QM Method TZVPD-FINE

Recent Comments

LVPP research showcased on the back cover of the 6th edition of “The Properties of Gases and Liquids” – LVPP on COSMO-SAC-Phi: a pairwise surface contact equation of state
LVPP research showcased on the back cover of the 6th edition “The Properties of Gases and Liquids” – LVPP on F-SAC 2013 presentation of the current status
LVPP research showcased on the back cover of the 6th edition “The Properties of Gases and Liquids” – LVPP on Beyond activity coefficients with pairwise interacting surface (COSMO-type) models

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