Results 231 to 240 of about 259,290 (345)

Unraveling Charge and Energy Transfer in a Singlet Fission Donor-Acceptor Complex: An <i>Ab Initio</i> Quantum Dynamical Study. [PDF]

J Chem Theory Comput
Thalmann KS, Coto PB, Thoss M.
europepmc   +1 more source

Singlet Ground State and Magnetization Plateaus in Ba₃Mn₂O₈

, 2001
Masahiro Uchida, Hidekazu Tanaka, M.I. Bartashevich, Tsuneaki Goto   +3 more
openalex   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Thionation-enhanced through-space electronic coupling and excited-state dynamics in helicene diimides.

Chem Commun (Camb)
D'Orazio-Colman A, T A, Saji S, Hariharan M, Ravat P.   +4 more
europepmc   +1 more source

Scanning Tunnelling Microscopy Study of Spin Interactions in Transition‐Metal Phthalocyanine Adsorbates: Mechanisms, Signatures, and Control Strategies

Advanced Science, EarlyView.
Transition‐metal phthalocyanine (TMPc) molecules serve as model systems for probing the spin interactions. This review summarizes recent scanning tunnelling microscopy advances on the spin‐related phenomena in TMPc adsorbates, including Kondo effect, spin excitations, and Yu–Shiba–Rusinov states, emphasizing the mechanisms and control strategies, and ...
Fudi Zhou, Can Zhang, Zhaoteng Dong, Mengya Ren, Lili Zhou, Yu Zhang, Yeliang Wang   +6 more
wiley   +1 more source

Mechanistic Insights Into the Photosensitizing Properties of the Topical Retinoid Tazarotene. [PDF]

ChemMedChem
Soler-Orenes JA, Dillon M, Rodríguez-Muñiz GM, Ansino-Ortiz M, Andreu I, Lhiaubet-Vallet V.   +5 more
europepmc   +1 more source

SINGLET-GROUND-STATE MAGNETS COUPLED WITH NUCLEAR SPINS. SYSTEMS WITH SINGLET-DOUBLET AND SINGLET-TRIPLET IONS

, 1988
N. Suzuki, Yoshimitsu Fukuyama
openalex   +2 more sources

The QMspin data set: Several thousand carbene singlet and triplet state structures and vertical spin gaps computed at MRCISD+Q-F12/cc-pVDZ-F12 level of theory

, 2020
Max Schwilk, Diana N. Tahchieva, O. Anatole von Lilienfeld   +2 more
openalex   +1 more source

Advances and Perspectives in Graphene‐Based Quantum Dots Enabled Neuromorphic Devices

Advanced Science, EarlyView.
Graphene‐based QDs are zero‐dimensional carbon nanomaterials with pronounced quantum confinement and tunable electronic structures. Herein, we summarize their synthesis strategies and functionalization methods, and highlight their functional roles and operating mechanisms in devices, as well as recent advances in neuromorphic electronics. We anticipate
Yulin Zhen, Wei Zeng, Zherui Zhao, JiYu Zhao, Ziyan Huang, Zhuo Chen, Kui Zhou, Guanglong Ding, Su‐Ting Han, Ye Zhou   +9 more
wiley   +1 more source

Excimer-mediated multiexciton generation in covalently linked cross foldamers of thiophene-fused perylene bisimides. [PDF]

Chem Sci
Li W, Zhang W, Zhou J, Liu L, Song H, Xie Z.   +5 more
europepmc   +1 more source