Results 161 to 170 of about 8,906 (257)

OMNI-P2x universal neural network potential for excited-state simulations. [PDF]

Nat Commun
Martyka M, Tong XY, Jankowska J, Dral PO.   +3 more
europepmc   +1 more source

Ultrafast Excited-State Dynamics of Dithienyltetrazine-Based Donor-Acceptor Copolymers. [PDF]

J Phys Chem B
Braun EM, Boazegevski S, Deus JF, Zanlorenzi C, Cassemiro SM, Akcelrud LC, Sardar S, Camargo FVA, Cerullo G, Bressan G, Fatima A, Meech SR, Heisler IA.   +12 more
europepmc   +1 more source

Benchmarking Electronic-Structure Methods for the Description of Dark Transitions in Carbonyls at and Beyond the Franck-Condon Point. [PDF]

J Phys Chem A
Bone J, Carmona-García J, Hollas D, Curchod BFE.   +3 more
europepmc   +1 more source

Oscillator Strengths and the Continuous Absorption Coefficient [PDF]

Monthly Notices of the Royal Astronomical Society, 1934
openaire   +2 more sources

Effect of Disorder on the Emission Spectra of Er³⁺, Tm³⁺, and Yb³⁺-Doped β‑NaYF₄: Quantum Chemical and Experimental Results. [PDF]

J Phys Chem C Nanomater Interfaces
Conrad CS, Behnle S, Hemmer E, Fink RF.
europepmc   +1 more source

Selective Electrical Tuning of Triple-Mode Strong Exciton-Plasmon Coupling in a WS₂/J-Aggregates/Au@Ag Heterocavity. [PDF]

Nanomaterials (Basel)
Hu Y, Li Z, Peng Q, Xu C, Jiao Y, Jiang L, Liang K.   +6 more
europepmc   +1 more source

Energy and thermal magnetization of diatomic molecules under the enhanced Pöschl-Teller potential. [PDF]

Sci Rep
Eyube ES, Kamaludeen M, Vijinti FC, Fwangle II, Isa MF.   +4 more
europepmc   +1 more source

Cycloazulenylene

Angewandte Chemie International Edition, EarlyView.
A strained macrocycle consisting solely of azulene subunits, named [6]cycloparaazulenylene ([6]CPA), is presented. The macrocycle exhibits a notably narrow HOMO–LUMO gap for a pristine azulene species, strain‐induced red‐shifted absorption, and an unusual tubular packing motif elucidated via single‐crystal XRD.
Clara Douglas, Josefine Sprachmann, David Dunlop, Joël Schlecht, Jörg Neudörfl, Tommy Wachsmuth, Julian Frost, Tomáš Slanina, Oliver Dumele   +8 more
wiley   +1 more source

Theoretical Insight on the Tautomerism and ESIPT Process in Some Hydroxyaryl(hetaryl)idene Azomethine Imines. [PDF]

Molecules
Kircheva N, Angelova S, Dobrev S, Antonov L.   +3 more
europepmc   +1 more source

Fluorophore Design via Generative Modeling in a Curated Subspace. [PDF]

ACS Omega
Kim B, Ashyrmamatov I, Ucak UV, Lee J.
europepmc   +1 more source