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List of works by Charles Bauschlicher

<b>Quantum Chemical and Experimental Thermodynamic Studies of HfO(g)</b>

scientific article published in 2022

Computational and Experimental Study of Thermodynamics of the Reaction of Titania and Water at High Temperatures.

scientific article

Formation of Metal Oxyfluorides from Specific Metal Reactions with Oxygen Difluoride: Infrared Spectroscopic and Theoretical Investigations of the OScF2 Radical and OScF with Terminal Single and Triple ScO Bonds ⬇️

scientific article published on August 21, 2012

Infrared spectroscopic and theoretical studies of the OTiF2, OZrF2 and OHfF2 molecules with terminal oxo ligands ⬇️

scientific article published on August 17, 2012

Lattice thermal conductivity of ultra high temperature ceramics ZrB2 and HfB2 from atomistic simulations

Phenolic Polymer Solvation in Water and Ethylene Glycol, I: Molecular Dynamics Simulations

scientific article published on 14 March 2017

Phenolic Polymer Solvation in Water and Ethylene Glycol, II: Ab Initio Computations.

scientific article published on 14 March 2017

Proton Abstraction from DME n···X+ by OH-, O2-, and XO2-, for X = Li, Na, and K: Implications for Li-O2 Batteries

scientific article published on 04 June 2019

Reactions of group 3 metals with OF2: infrared spectroscopic and theoretical investigations of the group 3 oxydifluoride OMF2 and oxyfluoride OMF molecules

scientific article

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