ereprof. dr. Michel Waroquier
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Application of molecular cluster models to study the amino acid L-alpha-alanine and its derived radicals in the crystalline state
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Ab initio calculation of entropy and heat capacity of gas-phase n-alkanes using internal rotations
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Saturation of nuclear matter and short-range correlations
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Self-consistent solution of Dyson's equation up to second order for closed- and open-shell atomic systems
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- Journal Article
- A1
- open access
Density-functional study of S-2(-) defects in alkali halides
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The electronegativity equalization method, I : parametrization and validation for atomic charge calculations
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Reactivity and kinetics of polyaromatic hydrocarbons in elementary radical reactions.
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Compton scattering on the proton and light nuclei in the Delta-resonance region
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Effects of self-consistency in a Green's function description of saturation in nuclear matter
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Microscopic study of exchange-correlation functionals in DFT by using Green's function perturbation techniques
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Self-consistent solution of Dyson's equation up to second order for open-shell atomic systems
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Ab initio study of radical reactions: Role of coupled internal rotations on the reaction kinetics (III)
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Ab initio studies of thermal syn-elimination reactions in carbonates: Effect of structure on reactivity
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Thermodegradable polycarbonates: Effect of substituents on the degradation temperature
(2002) E-POLYMERS. -
Micropatterning of polyurethanes with lasers.
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Tentative structures for the radiation-induced radicals in crystalline beta-D-fructose using density functional theory.
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Coherent Compton scattering on light nuclei in the Delta-resonance region - art. no. 014613.
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The kinetics of cyclization reactions on polyaromatics from first principles.
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Improved lower bounds for the ground-state energy of many-body systems
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- Journal Article
- A1
- open access
υ-representability of one-body density matrices