Results 21 to 30 of about 23,220,508 (301)

7-Hydroxyquinoline·(NH3)3: A Model for Excited State H-Atom Transfer Along an Ammonia Wire

open access: yesCHIMIA, 2004
The 7-hydroxyquinoline·(NH3)3 cluster has been used as a model to study excited state H-atom transfer along a hydrogen-bonded NH3…NH3…NH3 wire.
Christian Tanner   +2 more
doaj   +1 more source

Using Room Temperature Phosphorescence of Gold(I) Complexes for PAHs Sensing

open access: yesMolecules, 2021
The synthesis of two new phosphane-gold(I)–napthalimide complexes has been performed and characterized. The compounds present luminescent properties with denoted room temperature phosphorescence (RTP) induced by the proximity of the gold(I) heavy atom ...
Marian Rosental   +7 more
doaj   +1 more source

Monitoring nonadiabatic avoided crossing dynamics in molecules by ultrafast X-ray diffraction

open access: yesStructural Dynamics, 2017
We examine time-resolved X-ray diffraction from molecules in the gas phase which undergo nonadiabatic avoided-crossing dynamics involving strongly coupled electrons and nuclei.
Markus Kowalewski   +2 more
doaj   +1 more source

Novel Ultrahard Extended Hexagonal C10, C14 and C18 Allotropes with Mixed sp2/sp3 Hybridizations: Crystal Chemistry and Ab Initio Investigations

open access: yesC, 2023
Based on 4H, 6H and 8H diamond polytypes, novel extended lattice allotropes C10, C14 and C18 characterized by mixed sp3/sp2 carbon hybridizations were devised based on crystal chemistry rationale and first-principles calculations of the ground state ...
Samir F. Matar   +2 more
doaj   +1 more source

New electronic state documents list - July 2023 [PDF]

open access: yes, 2023
The monthly New South Carolina State Documents publication by the State Library provides a list of state documents published by state agencies that have been cataloged and added to the South Carolina State Documents Depository.
South Carolina State Library
core   +1 more source

The new competitive mechanism of hydrogen bonding interactions and transition process for the hydroxyphenyl imidazo [1, 2-a] pyridine in mixed liquid solution

open access: yesScientific Reports, 2017
The new competitive mechanism of intermolecular and intramolecular hydrogen bond can be proposed with an improved mixed model. Upon the photoinduced process, the twisting intramolecular charge transfer (TICT) structure of the hydroxyphenyl imidazo [1, 2 ...
Yongqing Li, Yunfan Yang, Yong Ding
doaj   +1 more source

X-ray induced Coulomb explosion imaging of transient excited-state structural rearrangements in CS2

open access: yesCommunications Physics, 2023
Structural imaging of transient excited-state species is a key goal of molecular physics, promising to unveil rich information about the dynamics underpinning photochemical transformations.
James Unwin   +36 more
doaj   +1 more source

Microscopic electronic structure tomography of Rydberg macrodimers

open access: yesPhysical Review Research, 2021
Precise control and study of molecules is challenging due to the variety of internal degrees of freedom and local coordinates that are typically not controlled in an experiment.
Simon Hollerith   +7 more
doaj   +1 more source

Competing Deactivation Channels for Excited π-Stacked Cytosines

open access: yesInternational Journal of Photoenergy, 2014
The deactivation of π-stacked cytosine molecules following excitation by ultrashort laser pulses was studied using semiclassical dynamics simulations.
Shuai Yuan   +5 more
doaj   +1 more source

A theoretical study on excited-state dynamical properties and laser cooling of zinc monohydride including spin-orbit couplings

open access: yesFrontiers in Chemistry
By means of highly accurate ab initio and dynamical calculations, we identify a suitable laser cooling candidate that contains a transition metal element, namely zinc monohydride (ZnH).
Donghui Li   +4 more
doaj   +1 more source

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