Andrei F Kazakov

Publications

Efficient ab initio Estimation of Formation Enthalpies for Organic Compounds: Extension to Sulfur and Critical Evaluation of Experimental Data

September 1, 2021

Author(s)

Eugene Paulechka, Andrei F. Kazakov

The efficient protocol for estimation of gas-phase enthalpies of formation developed previously for C, H, O, N, and F elements was extended to sulfur. The

ENTHALPY OF FORMATION OF AQUEOUS HYDROFLUORIC ACID: REVISION NEEDED?

November 7, 2019

Author(s)

Yauheni Paulechka, Andrei F. Kazakov

Accurate enthalpies of formation of hydrofluoric acid in the gas and liquid states as well as in aqueous solutions are critical for reduction and interpretation

Options for Low-GWP Refrigerants

November 6, 2019

Author(s)

Mark O. McLinden, Andrei F. Kazakov, J S. Brown, Riccardo Brignoli, Ian H. Bell, Piotr A. Domanski

We summarize a systematic examination of possible low-GWP (global warming potential) replacements for the HFC (hydrofluorocarbon) refrigerants currently used in

Critical evaluation of the enthalpies of formation for fluorinated compounds using experimental data and high-level ab initio calculations

August 23, 2019

Author(s)

Yauheni Paulechka, Andrei F. Kazakov

Cys.sqlite: A structured-information approach to the comprehensive analysis of cysteine disulfide bonds in the Protein Databank

January 29, 2019

Author(s)

Theodore L. Fobe, Andrei F. Kazakov, Demian Riccardi

Cysteine is a multifaceted amino acid that is central to the structure and function of many proteins. A disulfide bond formed between two cysteines restrains

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Andrei F Kazakov (Fed)

Publications