Results 21 to 30 of about 45,164 (261)

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

CHIMIA, 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, Carine Manca, Samuel Leutwyler   +2 more
doaj   +1 more source

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

Structural 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, Kochise Bennett, Shaul Mukamel   +2 more
doaj   +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

Scientific 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

Communications 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, Felix Allum, Mathew Britton, Ian Gabalski, Hubertus Bromberger, Mark Brouard, Philip H. Bucksbaum, Taran Driver, Nagitha Ekanayake, Diksha Garg, Eva Gougoula, David Heathcote, Andrew J. Howard, Paul Hockett, David M. P. Holland, Sonu Kumar, Chow-shing Lam, Jason W. L. Lee, Joseph McManus, Jochen Mikosch, Dennis Milesevic, Russell S. Minns, Christina C. Papadopoulou, Christopher Passow, Weronika O. Razmus, Anja Röder, Arnaud Rouzée, Michael Schuurman, Alcides Simao, Albert Stolow, Atia Tul-Noor, Claire Vallance, Tiffany Walmsley, Daniel Rolles, Benjamin Erk, Michael Burt, Ruaridh Forbes   +36 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

C, 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, Volker Eyert, Vladimir L. Solozhenko   +2 more
doaj   +1 more source

Competing Deactivation Channels for Excited π-Stacked Cytosines

International 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, Huiling Hong, Gang Wang, Wenying Zhang, Yusheng Dou, Glenn V. Lo   +5 more
doaj   +1 more source

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

Frontiers 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, Faiza Fayyaz, Faiza Fayyaz, Wensheng Bian, Wensheng Bian   +4 more
doaj   +1 more source

Microscopic electronic structure tomography of Rydberg macrodimers

Physical 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, Jun Rui, Antonio Rubio-Abadal, Kritsana Srakaew, David Wei, Johannes Zeiher, Christian Gross, Immanuel Bloch   +7 more
doaj   +1 more source

Electron-impact cross sections for ground state to np excitations of sodium and potassium

Journal of Research of the National Institute of Standards and Technology, 2004
Cross sections for electron impact excitation of atoms are important for modeling of low temperature plasmas and gases. While there are many experimental and theoretical results for excitation to the first excited states, little information is available for excitation to higher states.
Stone, Philip M., Kim, Yong-Ki
openaire   +2 more sources

Electrostatic Repulsion Between Highly Injecting Metals: An Experimental Investigation

Active and Passive Electronic Components, 1997
This paper is an experimental investigation of the major implications brought in the crossing resistance of mechanically contacted metals when operating in the high electronic injection regime, i.e., steady state interfacial voltage values greater than ...
C. T. Dervos
doaj   +1 more source