Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schr” odinger equation”
Title: Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schr" odinger equation" Authors: J Vaníček DOI: ...
A COMPUTATIONAL INSIGHT ON AU-BASED NANOALLOYS
Title: A COMPUTATIONAL INSIGHT ON AU-BASED NANOALLOYS Authors: MV Vanzan, S Zinzani, RM Jones, F Baletto DOI: https://www.mrs-mexico.org.mx/imrc2023/system/app_abstract-pdf.php?id_res=01144 Date: 2023-09-14 ...
Mechanistic studies of a lipase unveil effect of pH on hydrolysis products of small PET modules
Title: Mechanistic studies of a lipase unveil effect of pH on hydrolysis products of small PET modules Authors: K Świderek, ...
Decoding the infrared spectra changes upon formation of molecular complexes: the case of halogen bonding in pyridine⋯ perfluorohaloarene complexes
Title: Decoding the infrared spectra changes upon formation of molecular complexes: the case of halogen bonding in pyridine⋯ perfluorohaloarene complexes ...
OC2: Vanadium pentoxide nanoparticle films as a new platform for plasmon-free surface-enhanced Raman spectroscopy
Title: OC2: Vanadium pentoxide nanoparticle films as a new platform for plasmon-free surface-enhanced Raman spectroscopy Authors: E Kočišová, A Kuzminova, ...
Experimental FTIR-MI and Theoretical Studies of Isocyanic Acid Aggregates
Title: Experimental FTIR-MI and Theoretical Studies of Isocyanic Acid Aggregates Authors: J Krupa, M Wierzejewska, J Lundell DOI: https://www.mdpi.com/1420-3049/28/3/1430 Date: ...
Quantum computations in heavy noble-gas hydride cations: Reference energies and new spectroscopic data
Title: Quantum computations in heavy noble-gas hydride cations: Reference energies and new spectroscopic data Authors: MJM de Oca-Estévez, R Prosmiti ...
Hunting for interstellar molecules: rotational spectra of reactive species
Title: Hunting for interstellar molecules: rotational spectra of reactive species Authors: C Puzzarini, S Alessandrini, L Bizzocchi, ... DOI: https://pubs.rsc.org/en/content/articlehtml/2023/fd/d3fd00052d ...
Optimal clustering for quantum refinement of biomolecular structures: Q| R# 4
Title: Optimal clustering for quantum refinement of biomolecular structures: Q| R# 4 Authors: Y Wang, H Kruse, NW Moriarty, MP ...
Catalytic activity of 1D chains of gold oxide on a stepped gold surface from density functional theory
Title: Catalytic activity of 1D chains of gold oxide on a stepped gold surface from density functional theory Authors: ...
