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Physical Chemistry
Enhanced inverted singlet-triplet gaps in azaphenalenes and non-alternant hydrocarbons
23 November 2023 by
Marc Garner
and
others
at
Mainz Institute for Theoretical Physics
Theoretical and Computational Chemistry
,
Physical Chemistry
Achieving controllable distribution of metal cations (Pd, Pt, Ni, Cr, Cu) in a zeolite either as [M(II)-OH]/1Al or M(II)/2Al provides novel mechanistic insights for adsorptive and catalytic reactions
23 November 2023 by
Konstantin Khivantsev
and
others
at
Pacific Northwest National Laboratory
Physical Chemistry
,
Catalysis
Decoding the Broadband Emission of Two-Dimensional Pb-Sn Halide Perovskites through High-Throughput Exploration
23 November 2023 by
Elham Foadian
and
others
at
Oak Ridge National Laboratory
Physical Chemistry
,
Materials Science
PyJCFit: A Non-Linear Regression Random Search Algorithm for Chemistry Data Fitting
22 November 2023 by
Jixin Chen
Theoretical and Computational Chemistry
,
Physical Chemistry
Simulation of Aqueous Solutes Using the Adaptive Solvent-Scaling (AdSoS) Scheme
22 November 2023 by
Alžbeta Kubincová
and
others
at
ETH Zurich
Theoretical and Computational Chemistry
,
Physical Chemistry
Matrix-Formation Dynamics Dictate Methyl Nitrite Conformer Abundance
22 November 2023 by
Emily Hockey
and
others
at
University of Maryland
Physical Chemistry
,
Physical and Chemical Properties
Unraveling Motion in Proteins by Combining NMR Relaxometry and Molecular Dynamics Simulations: A Case Study on Ubiquitin
22 November 2023 by
Candide Champion
and
others
at
ETH Zurich
Theoretical and Computational Chemistry
,
Physical Chemistry
Luminescence of lanthanide complexes in mesoporous silica matrices: a textbook example of tris-dipicolinate europium complex adsorbed in SBA-15
22 November 2023 by
Cristina Balogh
and
others
Physical Chemistry
,
Materials Science
Purification of extracellular vesicles by size-exclusion chromatography using cross-linked agarose gels: the role of pore size in lipoprotein contamination
22 November 2023 by
Diana Kitka
and
others
Physical Chemistry
,
Analytical Chemistry
Controlling the Nonadiabatic Dynamics of the Charge-Transfer Process with Chirped-Pulses: Insights from a Double-Pump Time-Resolved Fluorescence Spectroscopy Scheme.
22 November 2023 by
Jia Hao Soh
and
others
at
University of Southern California
Theoretical and Computational Chemistry
,
Physical Chemistry
The Dynamic Catalytic Activity of Phosphorus-containing Catalysts
21 November 2023 by
Han Chen
and
others
at
UMass Amherst
Physical Chemistry
,
Catalysis
Unprotected organic cations – the dilemma of highly Li salt-concentrated ionic liquid electrolytes
21 November 2023 by
Shaoning Zhang
and
others
at
Kyoto University
Theoretical and Computational Chemistry
,
Physical Chemistry
Fluorescence lifetime imaging unravels the pathway of glioma cell death upon hypericin-induced photodynamic therapy
21 November 2023 by
Miriam Bassler
and
others
Physical Chemistry
,
Biophysical Chemistry
Unraveling the Influence of Molecular Vibrations on Electron Transport in Single-Molecule Junctions via Ab Initio Quantum Chemical Modeling
21 November 2023 by
Dávid Jelenfi
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Evaluation of acenes as potential acceptors in thermally activated delayed fluorescence emitters and the promise of a phenoxazine-naphthalene emitter for OLEDs
21 November 2023 by
Oliver Lee
and
others
at
University of St Andrews
Physical Chemistry
,
Organic Chemistry
Insight on Shallow Trap States in Boosting Electrochemiluminescence of Carbon Nitrides
21 November 2023 by
Yanfeng Fang
and
others
at
Southeast University
Physical Chemistry
,
Analytical Chemistry
Simulating micelle self-assembly to assess potential for viscosity build in surfactant formulations
21 November 2023 by
Ennio Lavagnini
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Probing the surface charge of condensates using microelectrophoresis
21 November 2023 by
Merlijn Van Haren
and
others
at
Radboud University
Physical Chemistry
,
Biological and Medicinal Chemistry
Lattice oxygen evolution in rutile Ru(1−x)Ni(x)O2 electrocatalysts
20 November 2023 by
Adrian Frandsen
and
others
Physical Chemistry
,
Catalysis
Electrocatalytic Hydrogenation of Furfural with Improved Activity and Selectivity at the Surface of Structured Copper Electrodes
20 November 2023 by
Clément Spadetto
and
others
at
Lund University
Physical Chemistry
,
Catalysis
Developing Cheap but Useful Machine Learning based Models for Investigating High-Entropy Alloy Catalysts
20 November 2023 by
Chenghan Sun
and
others
at
UC Davis
Theoretical and Computational Chemistry
,
Physical Chemistry
Overpotential-derived thermogenesis in mitochondrial respiratory chain
20 November 2023 by
Nuning Namari
and
others
at
University of Tsukuba
Physical Chemistry
,
Biological and Medicinal Chemistry
Interplay of catalyst corrosion and homogeneous reactive oxygen species in electrochemical ozone production
20 November 2023 by
Rayan Alaufey
and
others
at
Drexel University
Physical Chemistry
,
Catalysis
Studying the adsorption of emerging organic contaminants in zeolites with dispersion-corrected density functional theory calculations: From numbers to recommendations
20 November 2023 by
Michael Fischer
and
Jakob Brauer
at
University of Bremen
Theoretical and Computational Chemistry
,
Physical Chemistry
Generative AI-Driven Molecular Design: Combining Predictive Models and Reinforcement Learning for Tailored Molecule Generation
17 November 2023 by
Miriam Nnadili
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Molecular dynamics simulation study of water structure and dynamics on the gold electrode surface with adsorbed 4-mercaptobenzonitrile
17 November 2023 by
Kijeong Kwac
and
others
Physical Chemistry
,
Electrochemistry
Reconfigurable droplet-droplet communication mediated by photo-chemical Marangoni flows.
17 November 2023 by
Anne-déborah Nguindjel
and
others
at
Radboud University
Physical Chemistry
,
Materials Science
Improving Molecule-Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2 Hydrogenation
17 November 2023 by
Yuxiang Cai
and
others
at
University of Liverpool
Theoretical and Computational Chemistry
,
Physical Chemistry
Geometry and Electronic Structure of Yb(III)[CH(SiMe3)2]3 from EPR and solid-state NMR augmented by Computations
17 November 2023 by
Anton Ashuiev
and
others
at
UC Berkeley
Physical Chemistry
,
Inorganic Chemistry
Dual Ratiometric Fluorescence Monitoring of Mechanical Polymer Chain Stretching and Subsequent Strain-Induced Crystallization
17 November 2023 by
Kensuke Suga
and
others
at
Kyoto University
Physical Chemistry
,
Materials Science
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