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Molecular Simulation of Enzymatic Cleavage Reaction for Artificial Compounds
British Library Online Contents | 2015| -
Integrated Computational Studies on Mutational Effects of a Nylon-Degrading Enzyme
Springer Verlag | 2017| -
An accurate density functional theory based estimation of pKa values of polar residues combined with experimental data: from amino acids to minimal proteins
National licenceRoyal Society of Chemistry | 2012| -
Interstitial oxygen induced Fermi level pinning in the Al2O3-based high-k MISFET with heavy-doped n-type poly-Si gates
Free accessAmerican Institute of Physics | 2013| -
Structural design of AlN/GaN superlattices for deep-ultraviolet light-emitting diodes with high emission efficiency
National licenceAmerican Institute of Physics | 2011| -
Theoretical study of the atomistic behavior of O vacancy complexes with N and H atoms in the SiO2 layer of a metal—oxide—nitride—oxide—semiconductor memory: Physical origin of the irreversible threshold voltage shift observed in metal—oxide—nitride—oxide—semiconductor memories
British Library Online Contents | 2018| -
Theoretical Insight into Stereoselective Reaction Mechanisms of 2,4-Pentanediol-Tethered Ketene-Olefin [2 + 2] Cycloaddition
American Chemical Society | 2012| -
Effects of Hydrogen‐Bonding Environments on Protonation States around the Entrance of Proton Transfer Pathways in Cytochrome c Oxidase
American Institute of Physics | 2009| -
Significant Change in Electronic Structures of Heme Upon Reduction by Strong Coulomb Repulsion between Fe d Electrons
American Chemical Society | 2009| -
Intrinsic Origin of Negative Fixed Charge in Wet Oxidation for Silicon Carbide
Free accessArXiv | 2012|
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