Results 181 to 190 of about 17,173,630 (326)

Low‐Energy Electron‐Induced Dissociation of the Radiosensitizing Agent Sanazole

ChemPlusChem, EarlyView.
Employing mass spectrometry supported by quantum chemical calculations, electron attachment to gas‐phase and microhydrated sanazole, a hypoxic radiosensitizer, is examined. The results suggest that hydration closes and/or slows down the dissociation process and indicates that the initial mechanism of action in a reductive cell environment may be ...
Farhad Izadi, Masoomeh Mahmoodi‐Darian, Thomas F.M. Luxford, Jaroslav Kočišek, Stephan Denifl, Milan Ončák   +5 more
wiley   +1 more source

The Electronic Properties of Cordycepin in the Adenine Nucleoside Landscape: A Theoretical Approach. [PDF]

Molecules
Karwowski BT.
europepmc   +1 more source

First step towards a non-adiabatic description of the fission process based on the Generator Coordinate Method [PDF]

, 2010
R. Bernard, Héloïse Goutte, D. Gogny, N. Dubray, Denis Lacroix   +4 more
openalex   +1 more source

Room‐Temperature Luminescence from a Biscyclometalated Platinum(II) Complex Bearing Radical as Ancillary Ligand

ChemPlusChem, EarlyView.
Biscyclometalated platinum(II) complex bearing a persistent radical is reported. The complex possesses a doublet emission excited state (D2) with a short excited state lifetime at room temperature and a long excited triplet (T1) excited state lifetime at 77 K.
Sandhya Verma, Robert Malmberg, Julien Langley, Kausala Mylvaganam, Nicholas Cox, Olivier Blacque, Koushik Venkatesan   +6 more
wiley   +1 more source

Efficient non-Hermitian wave-modulation protocol with a rapid parametric jump. [PDF]

Nanophotonics
Shin SH, Choi YS, Kim YJ, Yoon JW.
europepmc   +1 more source

How Donor–Bridge–Acceptor Orientation and Chemical Modification Affect the Thermally Activated Delayed Fluorescence Abilities of Boron‐Based Emitters

ChemPhotoChem, EarlyView.
Quantum chemistry has been used to investigate the key factors that determine the (reverse) intersystem crossing processes in boron‐based organic light‐emitting diode emitters. The ortho‐linked through‐space charge‐transfer compounds exhibit smaller singlet–triplet splittings than their para‐linked through‐bond charge‐transfer regioisomers.
Jeremy M. Kaminski, Tu V. Chu, Christel M. Marian   +2 more
wiley   +1 more source

Classical molecular dynamics simulation of electronically non-adiabatic processes [PDF]

, 2016
William H. Miller, Stephen J. Cotton
openalex   +1 more source

Pathways to Aromatics in the Catalytic Pyrolysis of a Polyvinylchloride Model Compound Revealed by Operando Photoelectron Photoion Coincidence Spectroscopy

ChemSusChem, EarlyView.
How are aromatics formed during catalytic PVC pyrolysis? By utilizing photoelectron photoion coincidence spectroscopy, the cross‐linking reaction mechanism is unveiled to proceed via butadiene dimerization and trimerization, yielding 5‐ or 6‐membered ring species, which are the precursors for benzene, toluene, and xylenes.
Jovanni Cabana, Zihao Zhang, Zeyou Pan, Pawan Kumar, Xiangkun Wu, Andras Bodi, Gustavo A. Garcia, Yang Shen, Xintong Xiao, Hao Ma, Chen Huang, Chengyuan Liu, Long Zhao, Yang Pan, Zhongyue Zhou, Jeroen A. van Bokhoven, Patrick Hemberger   +16 more
wiley   +1 more source

Adiabatic Energetic Annealing via Dual Single-Pixel Detection in an Optical Nonlinear Ising Machine. [PDF]

ACS Photonics
Olivieri L, Cooper AR, Peters L, Cecconi V, Pasquazi A, Peccianti M, Totero Gongora JS.   +6 more
europepmc   +1 more source

Electrical Conductivities and Low Frequency Opacities in the Warm Dense Matter Regime

Contributions to Plasma Physics, EarlyView.
ABSTRACT In this article, we examine different approaches for calculating low frequency opacities in the warm dense matter regime. The relevance of the average‐atom approximation and of different models for calculating opacities, such as the Ziman or Ziman–Evans models is discussed and the results compared to ab initio simulations.
Mikael Tacu, Jean‐Christophe Pain, Matthias Pautard, Christophe Blancard   +3 more
wiley   +1 more source