Results 11 to 20 of about 5,869 (242)
Energy transfer and trapping in photosystem I with and without chlorophyll-f
iScience, 2023 Summary: We establish a general kinetic scheme for energy transfer and trapping in the photosystem I (PSI) of cyanobacteria grown under white light (WL) or far-red light (FRL) conditions.
Ivo H.M. van Stokkum +5 more
doaj +1 more source
Molecules, 2023 In this work, we implemented an approximate algorithm for calculating nonadiabatic coupling matrix elements (NACMEs) of a polyatomic system with ab initio methods and machine learning (ML) models.
Wen-Kai Chen +4 more
doaj +1 more source
FTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix‐isolated Coumarin [PDF]
Photochemistry and Photobiology, 2007 AbstractThe infrared spectrum of monomeric unsubstituted coumarin (C9H6O2; 2H‐1‐benzopyran‐2‐one), isolated in solid argon at 10 K is presented and assigned. The UV‐induced (λ > 200 nm) unimolecular photochemistry of the matrix‐isolated compound was studied experimentally.
Kuş, Nihal +5 more
openaire +4 more sources
iScience, 2021 Summary: This research addresses one of the most compelling issues in the field of photosynthesis, namely, the role of the accessory chlorophyll molecules in primary charge separation.
Michael Gorka +5 more
doaj +1 more source
Hydration of Phosphate Ion in Polarizable Water: Effect of Temperature and Concentration
Liquids, 2023 The hydration of phosphate ions, an essential component of many biological molecules, is studied using all-atom molecular dynamics (MD) simulation and quantum chemical methods.
Sandeep Verma, Arup Kumar Pathak
doaj +1 more source
Catalytic ozone decomposition and adsorptive VOCs removal in bimetallic metal-organic frameworks
Nature Communications, 2022 Warm-season O3 pollution has been increasingly frequent worldwide in the past few years, exposing a threat to human health as well as the natural environment. Here, the authors showcase a stable MOF which can not only effectively capture various airborne
Chen Dong +5 more
doaj +1 more source
Nature CommunicationsReactive uptake of dinitrogen pentaoxide (N2O5) into aqueous aerosols is a major loss channel for NOx in the troposphere; however, a quantitative understanding of the uptake mechanism is lacking.
Ye-Guang Fang +8 more
doaj +1 more source
Advanced Functional Materials, EarlyView.Methane photocatalytic activation under mild conditions remains a formidable challenge in the synthesis of solar fuels. In this review, we emphasize the growing importance of multifunctional materials and hybrid systems within a unified mechanistic framework that integrates selective C─H bond activation, formation and control of intermediates, C─C ...
Di Hu +5 more
wiley +1 more source
Applied Sciences, 2021 The photodegradation mechanism of 1-phenyl-4-allyl-tetrazol-5-one has been studied using (time-dependent) density functional theory with the M06-HF, B3LYP, and PBE0 functionals and the VDZ basis set.
Amilcar Duque-Prata +2 more
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Catalytically Enhanced Near Room‐Temperature Hydrogen Sensing Using Pd‐ZnO Colloidal Crystals
Advanced Functional Materials, EarlyView.Pd‐decorated ZnO colloidal crystal monolayers demonstrate excellent performance across a wide hydrogen concentration range at 33°C, with high selectivity and reproducible device fabrication. The sensors show strong responses even at low‐ppm H2 concentrations and an ultra‐low detection limit of 82 ppb, indicating their suitability for diverse hydrogen ...
Hamidah Alluhaybi +13 more
wiley +1 more source