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Systematic sequences of geometric relativistic basis sets. I: s- and p-block elements up to Xe
(SpringerNew YorkEUA, 2006)
Accurate density-functional calculation of core-electron binding energies of some substituted benzenes
(Chemical Soc JapanTokyoJapão, 2000)
Spurious Phosphorus Pyramidalization Induced By Some Dft Functionals
(SOC BRASILEIRA QUIMICASAO PAULO, 2015)
Effect of second-sphere interactions on the magnetic anisotropy of lanthanide single-molecule magnets: electrostatic interactions and supramolecular contacts
(American Chemical Society, 2020)
To study how second-sphere interactions affect single-molecule magnet (SMM) properties of mononuclear lanthanide systems, two dysprosium(III) complexes [Dy(N-NCS)(3)(H2O)(5)]center dot 0.45(KSCN)(18-crown-6) (1) and ...
Basis set modeling for molecular calculations using effective core potential
(John Wiley & Sons IncNew York, 1997)
DFT calculation of core-electron binding energies
(Elsevier Science BvAmsterdamHolanda, 2003)
Exafs And Dft Study Of The Cadmium And Lead Adsorption On Modified Silica Nanoparticles
(PERGAMON-ELSEVIER SCIENCE LTDOXFORD, 2015)
Structure Elucidation and Absolute Stereochemistry of Isomeric Monoterpene Chromane Esters
(Amer Chemical Soc, 2011-04-15)
Six novel monoterpene chromane esters were isolated from the aerial parts of Peperomia obtusifolia (Piperaceae) using chiral chromatography. This is the first time that chiral chromane esters of this kind, ones with a ...