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Development of density functionals for thermochemical kineticsInfrared multiphoton electron detachment spectroscopy of C76(2-).Report on the sixth blind test of organic crystal structure prediction methods.Density functional theory and hydrogen bonds: are we there yet?Energy Ordering of Molecular Orbitals.Assessment of Coupled Cluster Theory and more Approximate Methods for Hydrogen Bonded Systems.Mechanism of O((3)P) formation from a hydroxyl radical pair in aqueous solution.Development of Embedded and Performance of Density Functional Methods for Molecular Crystals.Rozen's epoxidation reagent, CH3CN.HOF: a theoretical study of its structure, vibrational spectroscopy, and reaction mechanism.Efficient CO2 Insertion and Reduction Catalyzed by a Terminal Zinc Hydride Complex.The vibrational spectrum of FeO2(+) isomers--theoretical benchmark and experiment.Addendum: Assessment of Coupled Cluster Theory and more Approximate Methods for Hydrogen Bonded Systems.Ab Initio Study of the Adsorption of Small Molecules on Metal–Organic Frameworks with Oxo-centered Trimetallic Building Units: The Role of the Undercoordinated Metal IonConstructing simple yet accurate potentials for describing the solvation of HCl/waterclusters in bulk helium and nanodropletsEffects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluorideBasis Set Limit Coupled Cluster Study of H-Bonded Systems and Assessment of More Approximate MethodsInfrared spectra of O2−∙(CO2)n clusters (n=1–6): Asymmetric docking at the π* orbitalThe infrared spectrum of Au−∙CO2Unusual hydrogen bonding behavior in binary complexes of coinage metal anions with waterZMP-SAPT: DFT-SAPT using ab initio densitiesHow to control single-molecule rotationRevised values for the X23 benchmark set of molecular crystals
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description
researcher ORCID id 0000-0001-7388-778X
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wetenschapper
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name
Adrian Daniel Boese
@ast
Adrian Daniel Boese
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Adrian Daniel Boese
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Adrian Daniel Boese
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type
label
Adrian Daniel Boese
@ast
Adrian Daniel Boese
@en
Adrian Daniel Boese
@es
Adrian Daniel Boese
@nl
prefLabel
Adrian Daniel Boese
@ast
Adrian Daniel Boese
@en
Adrian Daniel Boese
@es
Adrian Daniel Boese
@nl
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