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Double-hybrid density-functional theory applied to molecular crystals
Download from hal.upmc.frOxalyl Dihydrazide Polymorphism: a Periodic Dispersion-Corrected DFT and MP2 Investigation.
Download from hdl.handle.netFundamental Aspects of H2S Adsorption on CPO-27-Ni
Download from hdl.handle.netIR spectroscopy of crystalline polymers from ab initio calculations: Nylon 6,6
Download from www.researchgate.netTheoretical and experimental study on Mg(BH4)2–Zn(BH4)2 mixed borohydrides
Download from brage.bibsys.noAb Initio Calculation of the Crystalline Structure and IR Spectrum of Polymers: Nylon 6 Polymorphs
Download from www.researchgate.netExceptionally low shear modulus in a prototypical imidazole-based metal-organic framework.
Download from discovery.ucl.ac.ukH2storage in isostructural UiO-67 and UiO-66 MOFs
Download from www.researchgate.netOn choosing the best density functional approximation
Download from www.researchgate.netPolarizability and charge density distribution in crystalline urea
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