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Cysteine on Gold: An ab-initio Investigation.

, , , and . High Performance Computing in Science and Engineering, Springer, (2011)

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Organic-Metal Interface: Adsorption of Cysteine on Au(110) from First Principles., , , and . High Performance Computing in Science and Engineering, Springer, (2010)DFT studies using supercells and projector-augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine., , , , and . J. Comput. Chem., 28 (11): 1817-1833 (2007)Quantum Confined Stark Effect in Embedded PbTe Nanocrystals., , and . High Performance Computing in Science and Engineering, Springer, (2008)Electronic and Optical Properties of Alkaline Earth Metal Fluoride Crystals with the Inclusion of Many-Body Effects: A Comparative Study on Rutile MgF2 and Cubic SrF2., , , and . Symmetry, 15 (2): 539 (February 2023)Ab-initio Characterization of Electronic Properties of PbTe Quantum Dots Embedded in a CdTe Matrix., and . High Performance Computing in Science and Engineering, Springer, (2010)Finite-size modelling of electrodes for quantum transport calculations using k-space ab initio techniques., , and . Comput. Phys. Commun., 181 (4): 746-749 (2010)Cysteine on Gold: An ab-initio Investigation., , , and . High Performance Computing in Science and Engineering, Springer, (2011)Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials., , , , and . J. Comput. Chem., 25 (1): 112-122 (2004)