1,721,031 research outputs found
Theoretical Study of the (e,2e) Ionization Spectra and Electron Momentum Distributions of Norbornadiene, n-Hexane and Ethanol
No full textnot availabl
Theoretical Study of the (e,2e) Ionization Spectra and Electron Momentum Distributions of Norbornadiene, n-Hexane and Ethanol
No full textnot availabl
Trasferimento fittizio della sede legale della società debitrice. Oneri probatori e processuali in capo ai creditori nel procedimento prefallimentare
No full textLa pronuncia del Tribunale di Prato commentata (Trib Prato, sez. fallimentare, 28 luglio 2020, n. 35) come evidenziano gli Autori, offre interessanti spunti in tema di criteri per fondare la giurisdizione del giudice fallimentare italiano, nonché di adempimenti per la corretta instaurazione del contraddittorio nell'ambito di un procedimento prefallimentare contro una società debitrice avente la propria sede legale fittiziamente trasferita all'estero, da oltre un anno
Photoelectron spectra and (e, 2 e) electron momentum distributions of n–hexane: Thermostatistical calculations and conformational fingerprints
No full textElectron momentum spectroscopy of large n–alkane chains: tracking fingerprints for methylenic hyperconjugation
No full textPhotoelectron spectra and (e, 2 e) electron momentum distributions of n–hexane: Thermostatistical calculations and conformational fingerprints
No full textElectron momentum spectroscopy of large n–alkane chains: tracking fingerprints for methylenic hyperconjugation
No full textA theoretical study of potential energy surface and some chemo-physical descriptors of Aspirin, Coupling the rotation of the ester and carboxyl groups
No full textIn this paper, the effect of the simultaneous rotation of the carboxyl (COOH) and ester (R'COOR) functional groups on the potential energy surface (PES) of aspirin is studied. Relative energies are reported at the HF/aug-cc-pVDZ and B3LYP/aug-cc-pVDZ levels of theory. To understand the activity and selected electrophilic attack sites, electric dipole moments, atomic charges, HOMO-LUMO energy gap, natural bond orbital (NBO), and molecular electrostatic potential (MEP) analyses, as well as the main structural parameters of the identified conformers, are studied at the same theoretical level. Finally, an NBO analysis is used to demonstrate charge transfer between lone pairs and localized bonds.The authors thank the anonymous referees for stimulating objections and highly relevant comments. The resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
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