O. Wagner. "DFT in a Nutshell,". International Journal of Quantum Chemistry, 113:96-101, 2013.K. Burke, L.O. Wagner, Int. J. Quant. Chem. 113 , 96 (2013)Kieron Burke y Lucas O. Wagner. "DFT in a nutshell". Int.
In a nutshell, the molecules interact stronger with Al2O3 than with Cr2O3, as can been seen from the higher adsorption energies, the shorter bond lengths, and the higher charge transfers between molecule and Al2O3 with respect to Cr2O3. Download: Download high-res image (340KB) Downloa...
In this work, first-principle density functional theory (DFT) was used to calculate the work function and Volta potential differences between aluminum alloy matrix and two intermetallic phases (Mg2Si and Al2Cu) with varying surface terminations as a function of adhering monolayers (ML) of water. ...
In a nutshell and without delving too deep into the maths – we know (from the article) that we need transformLength bins (sine waves) in order to fully represent the signal, this is why we loop through the bins from 0 to transformLength-1. When we’re done with that, each of the...
In a nutshell: who owns the company and where is my money going? There’s no denying this can be a tough one. It’s often challenging to find out who the owners or investors of a company are, but for the majority of cases it shouldn’t be a major cause for concern. If however ...
Wagner. "DFT in a nutshell". Int. J. Quantum Chem. (2013), Vol. 113,2, pags. 96-101.K. Burke and L. O. Wagner, DFT in a nutshell, Int. J. Quantum Chem., 113 (2013), pp. 96-101.DFT in a nutshell[J] . Kieron Burke,Lucas O. Wagner.Int. J. Quantum Chem. . 2012 (...
K. Burke and L. O. Wagner. "DFT in a Nutshell". Int. J. Quantum Chem., 113 (2013), 96-101.Burke K, Wagner LO (2013) DFT in a nutshell. Int J Quant Chem 113:96K. Burke and L. O. Wagner. "DFT in a Nutshell,". International Journal of Quantum Chemistry, 113:96-101, ...
Wagner. "DFT in a nutshell". Int. J. Quantum Chem. (2013), Vol. 113,2, pags. 96-101.Burke, K, Wagner, LO (2013) DFT in a nutshell. Int J Quant Chem 113: pp. 96K. Burke and L. O. Wagner, DFT in a nutshell, Int. J. Quantum Chem., 113 (2013), pp. 96-101....