Results 231 to 240 of about 48,228 (306)

Comprehensive Modeling of Acetone Clusters: QTAIM Analysis and QCE Study

open access: yesJournal of Computational Chemistry, Volume 47, Issue 11, 30 April 2026.
A multiscale DFT‐QTAIM‐QCE approach links acetone cluster interactions to liquid‐phase behavior. Macroscopic thermodynamic and IR properties emerge from a dynamic equilibrium of small clusters. ABSTRACT In molecular research, comprehending the microscopic source of the macroscopic characteristics of polar aprotic solvents continues to be a significant ...
Juda Baikété   +2 more
wiley   +1 more source

Defined Microbiota Modulates Host Metabolome and Skeletal Adaptation to Diet‐Induced Obesity

open access: yesThe FASEB Journal, Volume 40, Issue 8, 30 April 2026.
Germ‐free mice exposed to high‐fat diet accumulate circulating bone‐relevant metabolites but fail to undergo adaptive skeletal remodeling. In contrast, mice colonized with a defined Oligo‐MM12 microbiota display altered systemic metabolite profiles associated with appropriate trabecular and cortical bone adaptation.
Melanie Cristine Scalise   +9 more
wiley   +1 more source

Unveiling the Photophysical Properties of Indole‐Containing Boron Complexes: Exploring Intramolecular Charge Transfer Character, Tunable Emission, and Large Stokes Shifts

open access: yesChemPhysChem, Volume 27, Issue 8, 28 April 2026.
Indolyl‐imine–based NN complexes were synthesized and investigated to clarify how structural modification tunes intramolecular charge transfer (ICT), resulting in large Stokes shifts and tunable emission properties. Steady‐state and ultrafast spectroscopy, supported by density‐functional theory (DFT), showed that altering peripheral phenyl groups ...
Emrah Özcan   +8 more
wiley   +1 more source

Multiple Dimerization Modes in Thiocarboxylate Paddlewheel Complexes: A Comprehensive View of Energy Landscapes from DFT Calculations and Statistics

open access: yesChemistry – A European Journal, Volume 32, Issue 15, 22 April 2026.
Staggered, square, and heavily bent dimers occur in the five known solvatomorphs of paddlewheel (PW) complex [PtVO(SOCPh)4]. These and other structural motifs are well within energetic reach due to the shallow potential energy surface that guides dimerization and are included in a revised classification of available structural data on heterobimetallic ...
Olga Mironova   +3 more
wiley   +1 more source

Compact, scan-pattern-switchable 2D piezoelectric MEMS mirror with 1D addressable scanning. [PDF]

open access: yesJ Microelectromech Syst
Yu J   +7 more
europepmc   +1 more source

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