C
Christian Van Alsenoy
Researcher at University of Antwerp
Publications - 166
Citations - 4397
Christian Van Alsenoy is an academic researcher from University of Antwerp. The author has contributed to research in topics: Hyperpolarizability & HOMO/LUMO. The author has an hindex of 30, co-authored 166 publications receiving 3898 citations. Previous affiliations of Christian Van Alsenoy include University of Arkansas & Vrije Universiteit Brussel.
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Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene
TL;DR: The first all-electron ab initio study of Young's modulus and Poisson ratio for a number of closed single-walled nanotubes is presented in this paper.
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Characterization of organosulfates from the photooxidation of isoprene and unsaturated fatty acids in ambient aerosol using liquid chromatography/(-) electrospray ionization mass spectrometry
Yadian Gómez-González,Jason D. Surratt,Filip Cuyckens,Rafal Szmigielski,Reinhilde Vermeylen,Mohammed Jaoui,Michael Lewandowski,John H. Offenberg,Tadeusz E. Kleindienst,Edward O. Edney,Frank Blockhuys,Christian Van Alsenoy,Willy Maenhaut,Magda Claeys +13 more
TL;DR: The polar organosulfates characterized in the present work are of climatic relevance because they may contribute to the hydrophilic properties of fine ambient aerosol and probably serve as ambient tracer compounds for the occurrence of secondary organic aerosol formation under acidic conditions.
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Terpenylic Acid and Related Compounds from the Oxidation of α-Pinene: Implications for New Particle Formation and Growth above Forests
Magda Claeys,Yoshiteru Iinuma,Rafal Szmigielski,Jason D. Surratt,Frank Blockhuys,Christian Van Alsenoy,Olaf Böge,Berko Sierau,Yadian Gómez-González,Reinhilde Vermeylen,Pieter Van der Veken,Mona Shahgholi,Arthur W. H. Chan,Hartmut Herrmann,John H. Seinfeld,Willy Maenhaut +15 more
TL;DR: Quantitative chemical calculations support that noncovalent dimer formation involving double hydrogen bonding interactions between carboxyl groups of the monomers is energetically favorable and are suggested to play a role in new particle formation and growth above forests.
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Critical thoughts on computing atom condensed Fukui functions.
Patrick Bultinck,Stijn Fias,Christian Van Alsenoy,Paul W. Ayers,Ramon Carbó-Dorca,Ramon Carbó-Dorca +5 more
TL;DR: It is shown how the resulting values may differ depending on the exact approach to atom condensed Fukui functions, which suggests questioning the role of these indicators in conceptual density-functional theory.
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brabo: a program for ab initio studies on large molecular systems
Christian Van Alsenoy,A. Peeters +1 more
TL;DR: A combination of the multiplicative integral approximation with the direct SCF approach is implemented in the program brabo as discussed by the authors, which is an efficient combination for ab initio calculations on large molecular systems.