chemical-physics

Documents about chemical-physics

• SPIBER: Reconstructing Free Energy Landscapes from Short, Unconverged Trajectories with Generative Flow Networks#1037346arXiv (All)
• Reply to Comment on "Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets"#1051653arXiv (All)
• Charge Transfer with a Spin. I: A Variational Constrained-CASSCF Framework for Investigating Charge Transfer in the Presence of Spin-Orbit Coupling#1052094arXiv (All)
• Replication Data for: Direct observation of flat bands in near-magic-angle twisted bilayer CVD graphene#411884IIT Dataverse Dataverse OAI Archive
• A theoretical study of the cluster vibrations in Cr2O2 , Cr2O3 , and Cr2O4#463895Digital Commons @ Michigan Tech
• Computing chemical potentials of solutions from structure factors#468479ISTA Publications
• Real-time ESR tracking for sub-micron 3D magnetic mapping with VB- quantum sensors in hexagonal boron nitride#656933arXiv (OAI Expanded)
• Real-time ESR tracking for sub-micron 3D magnetic mapping with VB- quantum sensors in hexagonal boron nitride#659069arXiv (All)
• Collisional excitation of H$_2$CO by He: Experimental validation of state-of-the-art scattering calculations#927340arXiv (All)
• Dielectric resonators based on amorphous silicon#934717Koc University Digital Collections
• Substrate-induced crystallisation in polymers: Exceptional impact of prefreezing versus heterogeneous nucleation on kinetics and morphology#985377arXiv (All)
• Determination of fundamental properties of nitrogen from first principles. III. Temperature and frequency dependence of the molecular polarizability and magnetic susceptibility#986306arXiv (All)
• Microscopic Theory of a Fluctuation-Induced Dynamical Crossover in Supercooled Liquids#987524arXiv (All)
• Chunk Twice, Embed Once: A Systematic Study of Segmentation and Representation Trade-offs in Chemistry-Aware Retrieval-Augmented Generation#1013426arXiv (All)
• Multimodal spectromicroscopy of monolayer WS2 enabled by ultra-clean van der Waals epitaxy#492107eScholarship
• Quenching of internal rotations versus collisional cooling at ultralow energies for weakly interacting partners: Cs-2((3)Sigma(+)(u)) with He-3,He-4#934880Koc University Digital Collections
• Influence of recrystallization on stability of tungsten scanning tunneling microscope tips#333583Figshare
• Measurements of Chemical Potentials in Pb-Pb Collisions at sNN =5.02 TeV#351996Repositorio Institucional de la PUCP
• Electronic supporting information to Maste et al. - The Accuracy Limit of Chemical Shift Predictions for Species in Aqueous Solution#466458TUDOdata Dataverse OAI Archive
• Highly Efficient 3-in-1 FPGA-Based Unit Combining an ADC, DAC, and Multichannel Pulse Generator for Pulsed EPR Spectroscopy#618885arXiv (OAI Expanded)
• Highly Efficient 3-in-1 FPGA-Based Unit Combining an ADC, DAC, and Multichannel Pulse Generator for Pulsed EPR Spectroscopy#620564arXiv (All)
• Shear viscosity of a massless quark-gluon gas in chemical equilibrium in terms of all $2\leftrightarrow 2$ cross sections#623229arXiv (OAI Expanded)
• Shear viscosity of a massless quark-gluon gas in chemical equilibrium in terms of all $2\leftrightarrow 2$ cross sections#625502arXiv (All)
• Ionization Energies, Electron Affinities, Bandgaps, Exciton Binding Energies, and Polarization Energies of Orientation-Controlled Picene, [6]-Phenacene, and [7]-Phenacene Thin Films#779797arXiv (OAI Expanded)
• Ionization Energies, Electron Affinities, Bandgaps, Exciton Binding Energies, and Polarization Energies of Orientation-Controlled Picene, [6]-Phenacene, and [7]-Phenacene Thin Films#781172arXiv (All)
• Quenched-vacancy induced spin-glass order#934928Koc University Digital Collections
• Molecular dynamics with Langevin equation using local harmonics and Chandrasekhar’s convolution#954415Koc University Digital Collections
• Time-dependent spectra of a three-level atom in the presence of electron shelvin#955272Koc University Digital Collections
• Band Structure Modulation of ZrO2 Nanoparticles for Control of CO Adsorption Properties: A Combined Density Functional Theory - Density Functional Tight Binding Study#985692arXiv (All)
• Theory of the $β$-Relaxation Beyond Mode-Coupling Theory: A Microscopic Treatment#998064arXiv (All)
• Photochemical modelling of Titan's atmosphere: Update of the chemical scheme and determination of new key reactions.#308109HAL Science
• Self-assembly of a strapped linear porphyrin oligomer on HOPG#649241University of Nottingham Repository
• Measurements of Chemical Potentials in Pb-Pb Collisions at sNN=5.02 TeV#675934eScholarship
• Similarity of Precursors in Solid-State Synthesis as Text-Mined from Scientific Literature#983603eScholarship
• Scanning photoelectron microscopy study of as-grown and heat-treated chemical vapor deposition boron-doped diamond films#670814Lund University Publications
• Generalizing Abell-Tersoff bond-order potential with explicit high-order many-body correlations for robust extrapolation of potential energy surfaces#674560arXiv (OAI Expanded)
• Generalizing Abell-Tersoff bond-order potential with explicit high-order many-body correlations for robust extrapolation of potential energy surfaces#677770arXiv (All)
• Low-Temperature Transport in Li-Ion Battery EC/EMC/FEC Electrolytes: Molecular Dynamics and Machine-Learning Modeling#920715arXiv (OAI Expanded)
• Low-Temperature Transport in Li-Ion Battery EC/EMC/FEC Electrolytes: Molecular Dynamics and Machine-Learning Modeling#924949arXiv (All)
• Optimal control of molecular motion expressed through quantum fluid dynamics#934870Koc University Digital Collections
• The quantum structure of anionic hydrogen clusters#955330Koc University Digital Collections
• Measurements of Diffusion Coefficients of CO$_{2}$ in 1-Butanol with a New Laminar Jet Apparatus and PFG-NMR, Pointing to Interfacial Mass Transfer Effects#972037arXiv (All)
• Methane-Carbon Dioxide: Conversions to Syngas and Hydrocarbons#1015187Diponegoro University | Institutional Repository (UNDIP-IR)
• EFFECT OF OPERATING PARAMETERS ON THE MINIMUM FLUIDISATION VELOCITY OF AN INCLINED FLUIDISED BED#1015304Diponegoro University | Institutional Repository (UNDIP-IR)
• NH2- in a cold ion trap with He buffer gas: Ab initio quantum modeling of the interaction potential and of state-changing multichannel dynamics#955391Koc University Digital Collections
• Dataset on a device for the control of oxygen microenvironment in in vitro cell cultures#184058AMS Acta
• Raw experimental data for: "Cannabinoid monitoring in advanced dried blood microsamples: a validated HPLC-MS/MS multianalyte method" — extraction solvent screening, extraction yield, matrix effect and stability#184068AMS Acta
• Activation of methane by U+ studied by guided ion beam tandem mass spectrometry and quantum chemistry#612217eScholarship
• Rotational coherence dominates early-time dynamics and produces long-time revivals in the S2 state of azulene#620086eScholarship
• Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT#683954eScholarship