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Experimental and computational study of the conrotatory ring opening of various 3-chloro-2-azetines
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Theoretical investigation of silica nanoparticles in zeolite aggregation
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MFI fingerprint: How pentasil-induced IR bands shift during zeolite nanogrowth
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Formation mechanisms for new zeolite materials from a molecular modeling perspective
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Four-membered heterocycles with a carbon-heteroatom exocyclic double bond at the 3-position: Puckering potential and thermodynamic properties
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- Book
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Een ab initio studie naar de invloed van laag-energetische modes op moleculaire partitiefuncties en afgeleide grootheden
(2006) -
Influence of low vibrational modes on molecular partition functions and derived quantities from first principles
(2006) -
An extended hindered-rotor model with incorporation of Coriolis and vibrational-rotational coupling for calculating partition functions and derived quantities
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Ab initio calculation of entropy and heat capacity of gas-phase n-alkanes with hetero-elements O and S: Ethers/alcohols and sulfides/thiols
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Applicability of the hindered rotor scheme to the puckering mode in four-membered rings