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Clusters
Modeling the Aerosol Aqueous Phase: Solvation of Pyruvic Acid Analogs and Na+, Cl– Ions
5 days ago by
Georg Baadsgaard Trolle
and
others
at
Aarhus University
Theoretical and Computational Chemistry
,
Physical Chemistry
Effect of metal-oxide interactions on the crystallinity of supported metal nanoparticles
30 October 2025 by
Janobiddinkhuja Bahodurov
and
others
at
National University of Singapore
Theoretical and Computational Chemistry
,
Physical Chemistry
High-resolution Photoelectron Spectroscopy of Cryogenically Cooled TiO2CH3OH−: An Investigation of Methanol Splitting by TiO2−/0
20 October 2025 by
Korina Vlahos
and
others
at
UC Berkeley
Physical Chemistry
,
Clusters
Molecular Dynamics Insights into Ibuprofen Nanocrystal Dissolution Put in the Context of Classical Nucleation Theory
6 October 2025 by
Peter Skrdla
and
others
Physical Chemistry
,
Nanoscience
Highly active hydrogen evolution reaction (HER) catalysts formed by energetic Ptn cluster deposition: Deposition dynamics and the HER mechanism
26 September 2025 by
Tsugunosuke Masubuchi
and
others
at
Keio University
Physical Chemistry
,
Catalysis
Nonaqueous formation mechanism of zirconium and hafnium oxo clusters
23 September 2025 by
Harry Wilson
and
others
at
University of Basel
Physical Chemistry
,
Inorganic Chemistry
Highly active hydrogen evolution reaction (HER) catalysts formed by energetic Ptn cluster deposition: Deposition dynamics and the HER mechanism
18 September 2025 by
Tsugunosuke Masubuchi
and
others
at
Keio University
Physical Chemistry
,
Catalysis
Chemical Potential of Iron in Systems of Low Dimensionality
5 September 2025 by
David Johannes Büchner
and
others
Physical Chemistry
,
Inorganic Chemistry
Mobility and Sintering of Silica-Supported Platinum Clusters via Reactive Neural Network Potentials
24 July 2025 by
Tereza Benešová
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Dynamics of gold nanocluster on MgO surface with F-center defect
26 June 2025 by
Vikas Tiwari
and
others
at
Indian Institute of Technology, Delhi
Theoretical and Computational Chemistry
,
Physical Chemistry
Galaxy QCxMS for Straightforward Semi-Empirical Quantum Mechanical EI-MS Prediction
19 June 2025 by
Wudmir Rojas
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Structural Impacts of the Addition of Succinic Acid to Cationic Ammonium Bisulfate Clusters
19 June 2025 by
Annapoorani Hariharan
and
others
at
Stony Brook University
Theoretical and Computational Chemistry
,
Physical Chemistry
A numerically exact calculation of vibration-rotation-tunnelling levels of water dimer on a new accurate potential energy surface: achieving sub-cm−1 accuracy from the terahertz to the infrared
11 June 2025 by
Xiao-Gang Wang
and
others
at
Queen's University
Theoretical and Computational Chemistry
,
Physical Chemistry
Intermolecular bending states and tunneling splittings of water trimer from rigorous 9D quantum calculations: II. Characterization of the states
3 June 2025 by
Peter Felker
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Vibrational signatures of carboxylic acid microhydration for the HyDRA project
2 June 2025 by
Noah Evers
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Rotational, vibrational, conformational and diastereomeric dimer cooling of aminoalcohols in soft supersonic expansions and the monohydrate of dimethylaminoethanol
2 June 2025 by
Eaindra Lwin
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Active Learning of Atomic Size Gas/Solid Potential Energy Surfaces via Physics Aware Models
29 May 2025 by
Nikolaos Patsalidis
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Time- and Temperature-Resolved Triplet Dynamics in Tungsten Iodide Clusters
27 May 2025 by
Philipp Frech
and
others
Physical Chemistry
,
Inorganic Chemistry
Calculated Magnetic and Geometric Structures of Neutral Copper Oxide Clusters
12 May 2025 by
Chase Rotteger
and
others
at
Arizona State University
Physical Chemistry
,
Clusters
From Spheres to Cones: Structural Instabilities and Acidity at Conical Regions in Trivalent Metal Ion Nano-clusters
8 May 2025 by
Jihong Shi
and
others
at
University of Western Ontario
Physical Chemistry
,
Analytical Chemistry
Effect of μ4-O Sites on the Ultrafast Dynamics of Neutral Magnetic Copper Oxide Clusters
28 April 2025 by
Chase Rotteger
and
others
at
Arizona State University
Physical Chemistry
,
Clusters
Calculated Magnetic and Geometric Structures of Neutral Copper Oxide Clusters
25 April 2025 by
Chase Rotteger
and
others
at
Arizona State University
Physical Chemistry
,
Clusters
Sequential Ag doping of Au25- atomically precise nanoclusters induces alternating positive and negative shifts of HOMO-LUMO gap
22 April 2025 by
Jonathan Fagan
and
others
at
Stony Brook University
Physical Chemistry
,
Inorganic Chemistry
Understanding the Mechanism of CO2 to CH4 Conversion and Hydrogen Evolution Reaction on Mg Nanoparticles in Water under ambient conditions: A DFT Perspective
17 April 2025 by
Amit Mondal
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Isomerization-assisted Proton Transfers in MeOH-(H2O)2H+
11 April 2025 by
Diego Hunt
and
others
Physical Chemistry
,
Clusters
Fundamental relation between triple point temperature and Rydberg constant
7 April 2025 by
Sergei Efimov
at
Bauman Moscow State Technical University
Physical Chemistry
,
Clusters
Infrared Photodissociation Spectroscopy of Fluoride Anion Hexafluoroisopropanol Complexes: Solvation-suppressed Proton Transfer
28 March 2025 by
Milena Barp
and
others
at
Universität Leipzig
Physical Chemistry
,
Clusters
Colloidal Synthesis of Ultra-Large InAs Quantum Dots
27 March 2025 by
Ekaterina Salikhova
and
others
at
University of Hamburg
Physical Chemistry
,
Nanoscience
Exploring Quantum Computing for Metal Cluster Analysis
10 February 2025 by
Nia Pollard
and
others
at
George Mason University
Theoretical and Computational Chemistry
,
Physical Chemistry
Uncovering the Individual Hydrogen Bond Strengths and Cooperativity in Pure (H2S)n and Mixed (H2O)m(H2S)n (m + n = 2 to 8) Clusters
30 January 2025 by
Deepak Patkar
Theoretical and Computational Chemistry
,
Physical Chemistry
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