Large area monocrystalline and surfactant-free copper microflake synthesis
Elif Nur Dayi, Diotime Pellet, Priscila Vensaus et al.
Chemical Physics papers — page 101
physics.chem-phBrowse archive
Linear and nonlinear X-ray spectra of chiral molecules: X-ray Circular Dichroism, Sum- and Difference-Frequency Generation of fenchone and cysteine
Yeonsig Nam, Majed Chergui, Linda Young et al.On the Estimation of Centre of Mass in Periodic Systems
Harry Richardson, Josh Dunn, Andrew R. McCluskeyFemtoliter Batch Reactors for Nanofluidic Scattering Spectroscopy Analysis of Catalytic Reactions on Single Nanoparticles
Björn Altenburger, Joachim Fritzsche, Christoph LanghammerAdvancing Carbon Capture using AI: Design of permeable membrane and estimation of parameters for Carbon Capture using linear regression and membrane-based equations
Bishwash Panerua, Biplov PaneruSelf-Refinement of Auxiliary-Field Quantum Monte Carlo via Non-Orthogonal Configuration Interaction
Zoran Sukurma, Martin Schlipf, Georg KresseReconstructing Pristine Molecular Orbitals from Scanning Tunneling Microscopy Images via Artificial Intelligence Approaches
Yu Zhu, Renjie Xue, Hao Ren et al.Encapsulation-Induced Alignment in Endofullerenes
Jonathan Smucker, Jesus Perez-RiosComputational Study of Li+ Solvation Structures in Fluorinated Ether, Non-Fluorinated Ether, and Organic Carbonate-Based Electrolytes at Low and High Salt Concentrations
Rumana Hasan, Dibakar DattaIon Trap Geometry
Evgeny V KrylovDependence of energy relaxation and vibrational coherence on the location of light-harvesting chromoproteins in photosynthetic antenna protein complexes
Masaaki Tsubouchi, Nobuhisa Ishii, Takatoshi Fujita et al.Partial separability of the Schroedinger equation combined with a Jastrow factor
Claude Le Sech, Antonio SarsaDirect unconstrained optimization of excited states in density functional theory
Hanh D. M. Pham, Rustam Z. KhaliullinImproving Aufbau Suppressed Coupled Cluster Through Perturbative Analysis
Harrison Tuckman, Ziheng Ma, Eric NeuscammanA theoretical model for linear and nonlinear spectroscopy of plexcitons
Chenghong Huang, Shuming Bai, Qiang ShiIonic Associations and Hydration in the Electrical Double Layer of Water-in-Salt Electrolytes
Daniel M. Markiewitz, Zachary A. H. Goodwin, Qianlu Zheng et al.High-Accuracy Physical Property Prediction for Organics via Molecular Representation Learning: Bridging Data to Discovery
Qi Ou, Hongshuai Wang, Minyang Zhuang et al.Graphs that predict exciton delocalization
Gregory D. ScholesExtending the rotational spectrum of cyclopentadiene towards higher frequencies and vibrational states
Luis Bonah, Benedikt Helmstaedter, Jean-Claude Guillemin et al.Synergistic Effects of Natural Biosurfactant and Metal Oxides Modification on PVDF Nanofiber Filters for Efficient Microplastic and Oil Removal
Aleksander de Rosset, Rafael Torres-Mendieta, Grzegorz Pasternak et al.Selective Excitation of IR-Inactive Modes via Vibrational Polaritons: Insights from Atomistic Simulations
Xinwei Ji, Tao E. LiTowards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy Hessians
Ishan Amin, Sanjeev Raja, Aditi KrishnapriyanAutomated Quantum Chemistry Code Generation with the p Package
Marcus D. Liebenthal, Stephen H. Yuwono, Lauren N. Koulias et al.Study of Mass Transport in the Anode of a Proton Exchange Membrane Fuel Cell with a New Hydrogen Flow-Rate Modulation Technique
Luis Duque, Antonio Molinero, J. Carlos Oller et al.Superoxide anion (O2-) collisions with CO2 molecules in the energy range 50-950 eV
C. Guerra, M. Leiferman, A. I. Lozano et al.