| 1 |
Critical Evaluation of the Enthalpies of Formation for Fluorinated Compounds Using Experimental Data and High-Level Ab Initio Calculations
Paulechka E, Kazakov A
Journal of Chemical and Engineering Data, 64(11), 4863, 2019 |
| 2 |
Thermodynamics of the Antiviral and Antiparkinsonian Drug Amantadine Hydrochloride: Condensed State Properties and Decomposition
Bazyleva A, Blokhin AV, Zaitsau DH, Kabo GJ, Paulechka E, Kazakov A, Shaw JM
Journal of Chemical and Engineering Data, 62(9), 2666, 2017 |
| 3 |
Efficient DLPNO CCSD(T)-Based Estimation of Formation Enthalpies for C-, H-, O-, and N-Containing Closed-Shell Compounds Validated Against Critically Evaluated Experimental Data
Paulechka E, Kazakov A
Journal of Physical Chemistry A, 121(22), 4379, 2017 |
| 4 |
Quantitative Structure-Property Relationship Predictions of Critical Properties and Acentric Factors for Pure Compounds
Carande WH, Kazakov A, Muzny C, Frenkel M
Journal of Chemical and Engineering Data, 60(5), 1377, 2015 |
| 5 |
Reparameterization of COSMO-SAC for Phase Equilibrium Properties Based on Critically Evaluated Data
Paulechka E, Diky V, Kazakov A, Kroenlein K, Frenkel M
Journal of Chemical and Engineering Data, 60(12), 3554, 2015 |
| 6 |
Computational Design of New Refrigerant Fluids Based on Environmental, Safety, and Thermodynamic Characteristics
Kazakov A, McLinden MO, Frenkel M
Industrial & Engineering Chemistry Research, 51(38), 12537, 2012 |
| 7 |
A Systematic Approach for Development of an OPLS-Like Force Field and Its Application to Hydrofluorocarbons
Paulechka E, Kroenlein K, Kazakov A, Frenkel M
Journal of Physical Chemistry B, 116(49), 14389, 2012 |
| 8 |
Predictive correlations based on large experimental datasets: Critical constants for pure compounds
Kazakov A, Muzny CD, Diky V, Chirico RD, Frenkel M
Fluid Phase Equilibria, 298(1), 131, 2010 |
| 9 |
Model for the Thermodynamic Properties of a Biodiesel Fuel
Huber ML, Lemmon EW, Kazakov A, Ou LS, Bruno TJ
Energy & Fuels, 23(7), 3790, 2009 |
| 10 |
ILThermo: A free-access web database for thermodynamic properties of ionic liquids
Dong Q, Muzny CD, Kazakov A, Diky V, Magee JW, Widegren JA, Chirico RD, Marsh KN, Frenkel M
Journal of Chemical and Engineering Data, 52(4), 1151, 2007 |
