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Physical and Chemical Processes
Insights from designing an artificial cascade catalysis system using principles from substrate channeling in enzymes
15 April 2025 by
Frances Houle
and
others
at
Lawrence Berkeley National Laboratory
Physical Chemistry
,
Physical and Chemical Processes
Isomerization-assisted Proton Transfers in MeOH-(H2O)2H+
11 April 2025 by
Diego Hunt
and
others
Physical Chemistry
,
Clusters
A consistent set of thermophysical properties of methane curated with machine learning
10 April 2025 by
Matheus Máximo-Canadas
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Impact of Octahedral Aluminium Sites on Guest Molecule Adsorption in Zeolites: A Computational Study of 5-Fluorouracil in Zeolite FAU
10 April 2025 by
Michael Fischer
at
University of Bremen
Theoretical and Computational Chemistry
,
Physical Chemistry
Unsupervised classification of local clathrate hydrate structures
10 April 2025 by
Xinrui Cai
and
others
at
University College London
Theoretical and Computational Chemistry
,
Physical Chemistry
Ion Dynamics and Polarizations in Simulated Nanopore under Alternating Current Controls
10 April 2025 by
Zicheng Yang
and
others
at
University of Massachusetts Boston
Physical Chemistry
,
Analytical Chemistry
Quantum enabled in-situ imaging of chemical reactions
28 March 2025 by
Jiandong Feng
and
others
Physical Chemistry
,
Catalysis
Nonequilibrium surfactant partitioning into microdroplets generates local phase inversion conditions and interfacial instability
26 March 2025 by
Samuel Birrer
and
others
at
Pennsylvania State University
Physical Chemistry
,
Analytical Chemistry
Nanoparticle Electrodes Trigger Bubble Detachment and Enhance Gas Evolution Efficiency
25 March 2025 by
Kaixin Wang
and
others
at
University of Utah
Physical Chemistry
,
Catalysis
Challenges and Opportunities for Machine Learning Potentials in Transition Path Sampling: Alanine Dipeptide and Azobenzene Studies
25 March 2025 by
Nikita Fedik
and
others
at
Los Alamos National Laboratory
Theoretical and Computational Chemistry
,
Physical Chemistry
Spatiotemporal Control of Formation of Dynamic Protein Fibre Networks via Photophysical Effects of a Focused Laser Beam
25 March 2025 by
Hiroshi Yoshikawa
and
others
at
Osaka University
Physical Chemistry
,
Biological and Medicinal Chemistry
Electronic excitation transfer dynamics in a 3-site system using an incoherent Born-Markov rate model
24 March 2025 by
Amit Kumar Upadhyay
and
Karthik Sasihithlu
Theoretical and Computational Chemistry
,
Physical Chemistry
Self-limiting deposition of copper from copper beta-diketonates and plasma electrons
24 March 2025 by
Premrudee Promdet
and
others
at
Linköping University
Physical Chemistry
,
Materials Science
Barrierless Crystallization in Glassy Precursors Drives Zeolite Formation
20 March 2025 by
Debdas Dhabal
and
others
at
University of Utah
Theoretical and Computational Chemistry
,
Physical Chemistry
Coarse-Grained Simulations of Sulfanilamide and Hexachlorobenzene Mobility in Soil Organic Matter
14 March 2025 by
Lorenz Dettmann
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Nuclear quantum effects and the Grotthuss mechanism dictate the pH of liquid water
14 March 2025 by
Saswata Dasgupta
and
others
at
University of San Diego
Theoretical and Computational Chemistry
,
Physical Chemistry
A Digital Tool for Liquid-Liquid Extraction Process Design
13 March 2025 by
George Karageorgis
and
others
Physical Chemistry
,
Organic Chemistry
Insights from designing an artificial cascade catalysis system using principles from substrate channeling in enzymes
4 March 2025 by
Frances Houle
and
others
at
Lawrence Berkeley National Laboratory
Physical Chemistry
,
Physical and Chemical Processes
Reaction between the Ionic Liquid BMP-TFSI and Li: Comparison between Monolayer Films and Thick Multilayer Films on Graphite (0001
3 March 2025 by
Katrin Forster-Tonigold
and
others
at
Ulm University
Theoretical and Computational Chemistry
,
Physical Chemistry
Enhancing Triplet Harvesting in Inverted Singlet-Triplet Gap Molecules through Mechanistic Understanding
28 February 2025 by
Laure Thieulloy
and
others
at
Technical University of Denmark
Theoretical and Computational Chemistry
,
Physical Chemistry
Ultrafast laser synthesis of zeolites
28 February 2025 by
Sezin Galioglu
and
others
at
Bilkent University
Physical Chemistry
,
Catalysis
Defining stereoisomeric configuration spaces and subspaces for arbitrary coordination centres ABn
26 February 2025 by
Peter Canfield
and
others
at
University of Sydney
Theoretical and Computational Chemistry
,
Physical Chemistry
The Polytope Formalism for Constitutional Isomerism and Isomerisation
25 February 2025 by
Peter Canfield
and
Maxwell Crossley
at
University of Sydney
Theoretical and Computational Chemistry
,
Physical Chemistry
Rigorous Treatment of Polytopal Rearrangements Reveal Surprising Complexity of Stereoisomerism Configuration Landscapes
25 February 2025 by
Peter Canfield
and
Maxwell Crossley
at
University of Sydney
Theoretical and Computational Chemistry
,
Physical Chemistry
Defining stereoisomeric configuration spaces and subspaces for arbitrary coordination centres ABn
24 February 2025 by
Peter Canfield
and
others
at
University of Sydney
Theoretical and Computational Chemistry
,
Physical Chemistry
Electronic and Geometric contributors to Hydrogen Binding in Uranium Oxide Grain Boundaries
17 February 2025 by
Rajat Goel
and
others
at
UC Davis
Theoretical and Computational Chemistry
,
Physical Chemistry
Electronic and Geometric contributors to Hydrogen Binding in Uranium Oxide Grain Boundaries
15 February 2025 by
Rajat Goel
and
others
at
Lawrence Livermore National Laboratory
Theoretical and Computational Chemistry
,
Physical Chemistry
From Non-Classical to Classical: Crystallization Seeds Reshape Nucleation Mechanisms
14 February 2025 by
Carlos Chu-Jon
and
others
at
University of Utah
Theoretical and Computational Chemistry
,
Physical Chemistry
Impact of octahedral aluminium sites on guest molecule adsorption in zeolites: A computational study of 5-fluorouracil in zeolite FAU
13 February 2025 by
Michael Fischer
at
University of Bremen
Theoretical and Computational Chemistry
,
Physical Chemistry
Rigorous Treatment of Polytopal Rearrangements Reveal Surprising Complexity of Stereoisomerism Configuration Landscapes
12 February 2025 by
Peter Canfield
and
Maxwell Crossley
at
University of Sydney
Theoretical and Computational Chemistry
,
Physical Chemistry
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