Results 171 to 180 of about 2,405,849 (256)
Der Nicht‐Adiabatische Charakter von Substituenteneffekten in Azobenzol
Vereinheitlichung Nicht‐Adiabatischen Schaltens: die thermische Z→E Isomerisierung von para‐substitutierten Azobenzolen verläuft über einen einzelnen Reaktionsweg mit nicht‐adiabatischem Charakter. Anstatt eines mechanistischen Wechsels spiegelt der bekannte V‐förmige Hammett Graph ein Artefakt des σp Parameters, zeigt so die Grenzen von DFT auf und ...
Jacob Jan van der Wal +4 more
wiley +1 more source
Full-information duration problem and its generalizations (Decision Making Processes under Uncertainty and Ambiguity) [PDF]
Ano, Katsunori, Kurushima, Aiko
core
The Nonadiabatic Nature of the Substituent Effects in Azobenzene
Unified nonadiabatic switching: thermal Z→E isomerization of para‐substituted azobenzenes proceeds through a single nonadiabatic rotational pathway. The iconic bell‐shaped Hammett plot is a σp artifact, not a reflection of a mechanistic change, exposing the limits of single‐reference density functional theory (DFT) and establishing activation entropy ...
Jacob Jan van der Wal +4 more
wiley +1 more source
Estimation of care costs for individuals with cystic fibrosis at a referral center: cohort study, Salvador, 2005-2022. [PDF]
Costa JCB, Sorte NCAB, D'Souza EL.
europepmc +1 more source
Single‐molecular toroics (SMTs) offer protected magnetic states for next‐generation quantum technologies. Ab initio and model analyses of Cu2Dy7 and Cu4Dy12 reveal unconventional excited states featuring delocalised toroidal moments that couple into strong ferro‐ and antiferrotoroidic configurations, providing unprecedented magnetic coupling within ...
Matteo Licitra +8 more
wiley +1 more source
O ano dos 70 anos da EEUSP [PDF]
openaire +4 more sources
Pleuroparenchymal Fibroelastosis With a Nodular Shadow Considered To Be Rounded Atelectasis: A Case Report. [PDF]
Watanabe A +5 more
europepmc +1 more source

