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                Chemical Physics

                Authors and titles for recent submissions

                [ total of 35 entries: 1-25 | 26-35 ]
                [ showing 25 entries per page: fewer | more | all ]

                Mon, 25 May 2020

                [1]  arXiv:2005.11160 (cross-list from physics.optics) [pdf]
                Title: Split-pulse X-ray photon correlation spectroscopy with seeded X-rays from X-ray laser to study atomic-level dynamics
                Comments: 17 pages, 4 figures
                Subjects: Optics (physics.optics); Materials Science (cond-mat.mtrl-sci); Soft Condensed Matter (cond-mat.soft); Chemical Physics (physics.chem-ph)
                [2]  arXiv:2005.11070 (cross-list from physics.app-ph) [pdf]
                Title: Sn4+ Precursor Enables 12.4% Efficient Kesterite Solar Cell from DMSO Solution with Open Circuit Voltage Deficit Below 0.30 V
                Comments: 10 pages,3 figures
                Subjects: Applied Physics (physics.app-ph); Chemical Physics (physics.chem-ph)
                [3]  arXiv:2005.10982 (cross-list from quant-ph) [pdf, ps, other]
                Title: Probing excited-state dynamics with quantum entangled photons: Correspondence to coherent multidimensional spectroscopy
                Authors: Akihito Ishizaki
                Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph)

                Fri, 22 May 2020

                [4]  arXiv:2005.10784 [pdf, other]
                Title: Generalized Born-Oppenheimer molecular dynamics
                Comments: 17 pages, 2 figures
                Subjects: Chemical Physics (physics.chem-ph); Mathematical Physics (math-ph); Quantum Physics (quant-ph)
                [5]  arXiv:2005.10562 [pdf, other]
                Title: Improving the exchange and correlation potential in density functional approximations through constraints
                Comments: 18 pages, 10 figures. Submitted to New horizons in density functional theory Faraday Discussion
                Subjects: Chemical Physics (physics.chem-ph)
                [6]  arXiv:2005.10424 [pdf, other]
                Title: Chemical Reaction Rates for Systems with Spin-Orbit Coupling and an Odd Number of Electrons: Does Berry's Phase Lead to Meaningful Spin-Dependent Nuclear Dynamics for a Two State Crossing?
                Comments: 52 pages, 11 figures
                Subjects: Chemical Physics (physics.chem-ph)
                [7]  arXiv:2005.10820 (cross-list from physics.atom-ph) [pdf, other]
                Title: Product-state control of ultracold reactions via conserved nuclear spins
                Comments: 9 pages, 4 figures in main text
                Subjects: Atomic Physics (physics.atom-ph); Chemical Physics (physics.chem-ph); Quantum Physics (quant-ph)
                [8]  arXiv:2005.10798 (cross-list from cond-mat.mtrl-sci) [pdf, other]
                Title: Amorphous Ni50Ti50 Alloy with Nanoporous Structure Generated by Ultrafast Isobaric Cooling
                Comments: 3 pages, 2 figures
                Journal-ref: Physics of the Solid State 62, 744 (2020)
                Subjects: Materials Science (cond-mat.mtrl-sci); Soft Condensed Matter (cond-mat.soft); Statistical Mechanics (cond-mat.stat-mech); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)
                [9]  arXiv:2005.10736 (cross-list from physics.comp-ph) [pdf, other]
                Title: Stochastic Constrained Extended System Dynamics for Solving Charge Equilibration Models
                Subjects: Computational Physics (physics.comp-ph); Chemical Physics (physics.chem-ph)
                [10]  arXiv:2005.10735 (cross-list from physics.app-ph) [pdf]
                Title: Shelf-stable quantum-dot light-emitting diodes with high operational performance
                Subjects: Applied Physics (physics.app-ph); Chemical Physics (physics.chem-ph); Optics (physics.optics)
                [11]  arXiv:2005.10703 (cross-list from cond-mat.mtrl-sci) [pdf, other]
                Title: Electrocrystallization of Supercooled Water in Confinement
                Comments: 3 pages, 4 figures
                Journal-ref: Physics of the Solid State vol. 62(5), 869-872 (2020)
                Subjects: Materials Science (cond-mat.mtrl-sci); Soft Condensed Matter (cond-mat.soft); Statistical Mechanics (cond-mat.stat-mech); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)
                [12]  arXiv:2005.10580 (cross-list from cond-mat.soft) [pdf, other]
                Title: Screened Coulomb interactions between finite-sized macroions of various shapes
                Comments: 7 pages, 2 figures, SI under ancillary files
                Subjects: Soft Condensed Matter (cond-mat.soft); Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Statistical Mechanics (cond-mat.stat-mech); Chemical Physics (physics.chem-ph)
                [13]  arXiv:2005.10557 (cross-list from cond-mat.mtrl-sci) [pdf]
                Title: Inelastic neutron scattering: A novel approach towards determination of equilibrium isotopic fractionation factors. Size effects on heat capacity and beta-factor of diamond
                Comments: Accepted to Physical Chemistry Chemical Physics
                Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)

                Thu, 21 May 2020

                [14]  arXiv:2005.10178 [pdf, ps, other]
                Title: Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations
                Comments: 37 pages, 1 figure, 2 tables
                Subjects: Chemical Physics (physics.chem-ph)
                [15]  arXiv:2005.10134 [pdf, other]
                Title: Elucidating the mechanism of reactive uptake of N$_2$O$_5$ in aqueous aerosol
                Comments: 7 pages, 3 figures, plus extensive supplemental information
                Subjects: Chemical Physics (physics.chem-ph); Soft Condensed Matter (cond-mat.soft); Statistical Mechanics (cond-mat.stat-mech)
                [16]  arXiv:2005.10132 [pdf, other]
                Title: Connected three-body terms in single-reference unitary many-body theories: Iterative and perturbative approximations
                Subjects: Chemical Physics (physics.chem-ph)
                [17]  arXiv:2005.10129 [pdf, ps, other]
                Title: Optimization of atomic density-fitting basis functions for molecular two-electron integral approximations
                Comments: Comments are welcome
                Subjects: Chemical Physics (physics.chem-ph)
                [18]  arXiv:2005.09831 [pdf]
                Title: Revisiting the Effect of f-Functions in Predicting the Right Reaction Mechanism for Hypervalent Iodine Reagents
                Comments: 12 pages, 5 figures
                Subjects: Chemical Physics (physics.chem-ph)
                [19]  arXiv:2005.09776 [pdf, other]
                Title: Exploiting machine learning to efficiently predict multidimensional optical spectra in complex environments
                Subjects: Chemical Physics (physics.chem-ph); Disordered Systems and Neural Networks (cond-mat.dis-nn); Statistical Mechanics (cond-mat.stat-mech)
                [20]  arXiv:2005.09746 [pdf]
                Title: Bridging physics-based and equivalent circuit models for lithium-ion batteries
                Subjects: Chemical Physics (physics.chem-ph)

                Wed, 20 May 2020 (showing first 5 of 9 entries)

                [21]  arXiv:2005.09538 [pdf, other]
                Title: Conformational Landscape of Oxygen-Containing Naphthalene Derivatives
                Journal-ref: The Journal of Physical Chemistry A (2020)
                Subjects: Chemical Physics (physics.chem-ph); Atomic and Molecular Clusters (physics.atm-clus)
                [22]  arXiv:2005.09385 [pdf, other]
                Title: Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities and Modified Dissociation
                Subjects: Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph); Quantum Physics (quant-ph)
                [23]  arXiv:2005.09295 [pdf]
                Title: Post-mortem analysis of tungsten plasma facing components in tokamaks: Raman microscopy measurements on compact, porous oxide and nitride films and nanoparticles
                Comments: Nuclear Fusion, IOP Publishing, 2020
                Subjects: Chemical Physics (physics.chem-ph)
                [24]  arXiv:2005.09292 [pdf, ps, other]
                Title: Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions
                Comments: 40 pages, 5 figures
                Journal-ref: J. Chem. Phys. 152, 174112 (2020)
                Subjects: Chemical Physics (physics.chem-ph); Materials Science (cond-mat.mtrl-sci)
                [25]  arXiv:2005.09126 [pdf, other]
                Title: On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature
                Subjects: Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph); Quantum Physics (quant-ph)
                [ total of 35 entries: 1-25 | 26-35 ]
                [ showing 25 entries per page: fewer | more | all ]
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