Structural and chemical properties of Pt-rich PtxZry nanoalloys
Title: Structural and chemical properties of Pt-rich PtxZry nanoalloys Authors: Luis M. Molina and Julio A. Alonso DOI: 10.1039/d5cp02864g Date: ...
ZZPolyCalc: An open-source code with fragment caching for determination of Zhang-Zhang polynomials of carbon nanostructures
Title: ZZPolyCalc: An open-source code with fragment caching for determination of Zhang-Zhang polynomials of carbon nanostructures Authors: Rafał Podeszwa, Henryk ...
Theoretical Insights into Potential Interstellar Molecules: Protonated Acrolein and Methylketene
Title: Theoretical Insights into Potential Interstellar Molecules: Protonated Acrolein and Methylketene Authors: Terri E. Field-Theodore, Peter R. Taylor, Cristina Puzzarini ...
Formation of the glycine isomer glycolamide (NH2C(O)CH2OH) on the surfaces of interstellar ice grains: Insights from atomistic simulations
Title: Formation of the glycine isomer glycolamide (NH2C(O)CH2OH) on the surfaces of interstellar ice grains: Insights from atomistic simulations Authors: ...
Gas-Phase Reactions of H2CS and H2CO with CN: Similarities and Differences from a Computational Study
Title: Gas-Phase Reactions of H2CS and H2CO with CN: Similarities and Differences from a Computational Study Authors: Silvia Alessandrini, Hexu ...
Describing the Disulfide Bond: From the Density Functional Theory and Back through the “Lego Brick” Approach
Title: Describing the Disulfide Bond: From the Density Functional Theory and Back through the “Lego Brick” Approach Authors: Silvia Alessandrini, ...
