Title: Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes Authors: Enrique ...
Title: Diamondoid ether clusters in helium nanodropletsDOI: https://doi.org/10.1039/D3CP00489A Working Group: WG2, WG4, WG5 Grant Period: 1-10-2022 to 31-10-2023 Grant Period ...
Title: Acidic graphene organocatalyst for the superior transformation of wastes into high-added-value chemicals Authors: Aby Cheruvathoor Poulose, Miroslav Medveď, Vasudeva ...
Title: Speciation of Hexavalent Chromium in Aqueous Solutions Using a Magnetic Silica-Coated Amino-Modified Glycidyl Methacrylate Polymer Nanocomposite Authors: Suručić Ljiljana, ...
Dear PHYMOL supervisors, co-supervisors, mentors, and friends, As you know, our PHYMOL project has started and the doctoral candidates ...
Tiene como objetivo comprender desde un nivel muy inicial los sistemas moleculares confinados para posteriormente poder controlarlos. Con las ...
Title: Protonation of apolar species: From Cl2H+ to (E)-NCCHCHCNH+ through computational investigations Authors: Silvia Alessandrini, Luca Bizzocchi, Mattia Melosso, Cristina ...
DOI: 10.1021/acs.jpclett.2c03923 Working Group: WG3 Grant Period: 1st GP 2022-2023 Grant Period Goal (number): GPG2, GOG4 Covered deliverables from the ...
Title: Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks Authors: Vincenzo Barone, Silvia Di Grande, ...
Relaxation dynamics of 3He and 4He clusters and droplets studied using near infrared and visible fluorescence excitation spectroscopy ...
