Collection
In Memoriam of János Ángyán
Honorary volume dedicated to the memory of János G. Ángyán, died too early, on January 22, 2017, at the age of 60. We recall some stations of his life and essential elements of his research.In the present volume, we could collect in 33 articles many of the different facets of János’ work, ongoing collaborations with colleagues all over the world, having come too soon to an end, and ideas which may be further developed. He left us, but souvenirs and achievements will remain.
Articles (33 in this collection)
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A relative energy gradient (REG) study of the planar and perpendicular torsional energy barriers in biphenyl
Authors (first, second and last of 4)
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Spherical aromaticity and electron delocalization in \({\text{C}}_8\) and \({\text{B}}_4{\text{N}}_4\) cubic systems
Authors (first, second and last of 6)
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Modeling induction phenomena in amino acid cation–\(\pi \) interactions
Authors (first, second and last of 4)
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The Infrared spectrum of very large (periodic) systems: global versus fragment strategies—the case of three defects in diamond
Authors (first, second and last of 6)
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Multiple impurities and combined local density approximations in site-occupation embedding theory
Authors (first, second and last of 4)
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Adsorption of NO, NO2, CO, H2O and CO2 over isolated monovalent cations in faujasite zeolite: a periodic DFT investigation
Authors (first, second and last of 7)
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Quantum chemical calculations support pseudouridine synthase reaction through a glycal intermediate and provide details of the mechanism
Authors (first, second and last of 5)
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Conical intersection properties unraveled by the position spread tensor
Authors (first, second and last of 6)
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Multiple bond breaking with APSG-based correlation methods: comparison of two approaches
Authors (first, second and last of 4)
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Hydrogen, boron and nitrogen atoms in diamond: a quantum mechanical vibrational analysis
Authors (first, second and last of 6)
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Validation of approximate nonempirical scoring model for menin-mixed lineage leukemia inhibitors
Authors (first, second and last of 4)
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