Improving the accuracy of Møller-Plesset perturbation theory with neural networks
McGibbon, Robert T., Taube, Andrew G., Donchev, Alexander G., Siva, Karthik, Hernández, Felipe, Hargus, Cory, Law, Ka-Hei, Klepeis, John L., Shaw, David E.
Published in The Journal of chemical physics (28.10.2017)
Published in The Journal of chemical physics (28.10.2017)
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Journal Article
Quantum chemical benchmark databases of gold-standard dimer interaction energies
Donchev, Alexander G., Taube, Andrew G., Decolvenaere, Elizabeth, Hargus, Cory, McGibbon, Robert T., Law, Ka-Hei, Gregersen, Brent A., Li, Je-Luen, Palmo, Kim, Siva, Karthik, Bergdorf, Michael, Klepeis, John L., Shaw, David E.
Published in Scientific data (10.02.2021)
Published in Scientific data (10.02.2021)
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Journal Article
Suppressing the oxygen ingress into Ti-alloys by a one-step Al- plus F-treatment
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Journal Article
Conference Proceeding
Application of a polarizable force field to calculations of relative protein-ligand binding affinities
Khoruzhii, Oleg, Donchev, Alexander G, Galkin, Nikolay, Illarionov, Alexei, Olevanov, Mikhail, Ozrin, Vladimir, Queen, Cary, Tarasov, Vladimir
Published in Proceedings of the National Academy of Sciences - PNAS (29.07.2008)
Published in Proceedings of the National Academy of Sciences - PNAS (29.07.2008)
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Journal Article
Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase
Donchev, Alexander G, Galkin, Nikolay G, Illarionov, Alexey A, Khoruzhii, Oleg V, Olevanov, Michael A, Ozrin, Vladimir D, Pereyaslavets, Leonid B, Tarasov, Vladimir I
Published in Journal of computational chemistry (01.06.2008)
Published in Journal of computational chemistry (01.06.2008)
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Journal Article
Contribution of quantum molecular flexibility to the second virial coefficient of water vapor
Donchev, Alexander G, Galkin, Nikolay G, Tarasov, Vladimir I
Published in Physical review letters (01.12.2006)
Published in Physical review letters (01.12.2006)
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Journal Article
Effects of tungsten alloying and fluorination on the oxidation behavior of intermetallic titanium aluminides for aerospace applications
Donchev, Alexander, Mengis, Lukas, Couret, Alain, Mayer, Svea, Clemens, Helmut, Galetz, Mathias
Published in Intermetallics (01.12.2021)
Published in Intermetallics (01.12.2021)
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Journal Article
[Ga18(SitBu3)8] and [Ga22(SitBu3)8]-Syntheses and Structural Characterization of Novel Gallium Cluster Compounds
Donchev, Alexander, Schnepf, Andreas, Stößer, Gregor, Baum, Elke, Schnöckel, Hansgeorg, Blank, Thomas, Wiberg, Nils
Published in Chemistry : a European journal (03.08.2001)
Published in Chemistry : a European journal (03.08.2001)
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Journal Article
High-temperature oxidation behavior of multi-phase Mo-containing γ-TiAl-based alloys
Pflumm, Raluca, Donchev, Alexander, Mayer, Svea, Clemens, Helmut, Schütze, Michael
Published in Intermetallics (01.10.2014)
Published in Intermetallics (01.10.2014)
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Journal Article
Effect of CO on the corrosion behavior of 304 stainless steel in wet CO 2 gas at 710°C
Cao, Fang, Donchev, Alexander, Galetz, Mathias, Myers, Michael, Ma, Ning, Chun, Charlie
Published in Materials and corrosion (30.07.2024)
Published in Materials and corrosion (30.07.2024)
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Journal Article
Improving the corrosion resistance of ferritic-martensitic steels at 600 °C in molten solar salt via diffusion coatings
Meißner, Tobias M., Oskay, Ceyhun, Bonk, Alexander, Grégoire, Benjamin, Donchev, Alexander, Solimani, Ali, Galetz, Mathias C.
Published in Solar energy materials and solar cells (01.08.2021)
Published in Solar energy materials and solar cells (01.08.2021)
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Journal Article