Results 211 to 220 of about 146,944 (315)

Velocity Rescaling in Surface Hopping Based on Atomic Contributions to Electronic Transitions. [PDF]

J Chem Theory Comput
Sangiogo-Gil E, Ibele LM, Bleyer R, González L.   +3 more
europepmc   +1 more source

Nuclear structure theory. Annual progress report, October 1, 1972-- September 30, 1973

, 1973
J.B. French, Daniel S. Koltun
openalex   +2 more sources

Removing Homocoupling Defects in Alkoxy/Alkyl‐PBTTT Enhances Polymer:Fullerene Co‐Crystal Formation and Stability

Advanced Functional Materials, EarlyView.
PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu, Jochen Vanderspikken, Paola Mantegazza, Stefania Moro, Mouna Hamid, Sigurd Mertens, Niko Van den Brande, Laurence Lutsen, Vincent Lemaur, David Beljonne, Giovanni Costantini, Koen Vandewal, Bruno Van Mele, Wouter Maes, Bart Goderis   +14 more
wiley   +1 more source

Does chemistry need more physics? [PDF]

Pure Appl Chem
Saue T.
europepmc   +1 more source

Nuclear structure theory. Annual technical progress report, July 1, 1973-- June 30, 1974

, 1974
J.B. French, Daniel S. Koltun
openalex   +2 more sources

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Investigation of secondary charged particles emerged in the interaction of [Formula: see text] + emulsion at 1 A GeV. [PDF]

Sci Rep
Singh MK.
europepmc   +1 more source

Nuclear structure theory. Annual technical progress report, 1 July 1974-- 30 June 1975

, 1975
J.B. French, Daniel S. Koltun
openalex   +2 more sources

Hydrogel‐Based Photothermal‐Catalytic Membrane for Efficient Cogeneration of Freshwater and Hydrogen in Membrane Distillation System

Advanced Functional Materials, EarlyView.
This work presents an overview of the PTC‐VMD system for water‐hydrogen co‐generation. a) Illustration of the hydrogel‐based PTC membrane and the co‐generation of water and hydrogen. b) Structure of the PTC‐VMD system and the functions of each component layer.
Jiawei Sun, Muhammad Usman Farid, Wenlong Xi, Gang Lu, Min Wei Boey, Sai Kishore Ravi, Patrick H.‐L. Sit, Alicia Kyoungjin An   +7 more
wiley   +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