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Chemical Physics

Authors and titles for recent submissions

[ total of 36 entries: 1-25 | 26-36 ]
[ showing 25 entries per page: fewer | more | all ]

Thu, 21 Sep 2017

[1]  arXiv:1709.06973 [pdf]
Title: Dynamics on the Double Morse Potential: A Paradigm for Roaming Reactions with no Saddle Points
Comments: 22 pages, 31 figures
Subjects: Chemical Physics (physics.chem-ph); Dynamical Systems (math.DS); Chaotic Dynamics (nlin.CD)
[2]  arXiv:1709.06911 [pdf, other]
Title: On excited state reaction path in reversibly switchable fluorescent proteins
Comments: 26 pages, 1 table, 5 figures
Subjects: Chemical Physics (physics.chem-ph); Biological Physics (physics.bio-ph)
[3]  arXiv:1709.06852 [pdf, other]
Title: The Temperature Dependence on Intermolecular Potential Energy in the Design of a Supercritical Stirling Cycle Heat Engine
Comments: 22 pages, 3 figures, 4 tables, 36 references
Subjects: Chemical Physics (physics.chem-ph)
[4]  arXiv:1709.06749 [pdf, other]
Title: Fluorescence spectroscopy enhancement on photonic nanoantennas
Authors: Jerome Wenger
Comments: This document is intended to become a chapter of a book "Plasmonics in Chemistry and Biology" edited by Nordin Felidj and Marc Lamy de la Chapelle, Pan Stanford editions
Subjects: Chemical Physics (physics.chem-ph); Optics (physics.optics)
[5]  arXiv:1709.06746 [pdf, other]
Title: The octet rule in chemical space: Generating virtual molecules
Comments: 24 pages, 10 figures
Subjects: Chemical Physics (physics.chem-ph)
[6]  arXiv:1709.06956 (cross-list from cond-mat.mes-hall) [pdf]
Title: Correlative Microscopy of Morphology and Luminescence of Cu porphyrin aggregates
Subjects: Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Soft Condensed Matter (cond-mat.soft); Chemical Physics (physics.chem-ph)
[7]  arXiv:1709.05909 (cross-list from cond-mat.mes-hall) [pdf]
Title: Hydrophobic-hydrophilic interactions drive rapid nanoparticle assembly
Comments: 19 pages, 5 figures
Subjects: Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Soft Condensed Matter (cond-mat.soft); Applied Physics (physics.app-ph); Chemical Physics (physics.chem-ph)

Wed, 20 Sep 2017

[8]  arXiv:1709.06424 [pdf, ps, other]
Title: Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping
Comments: arXiv admin note: text overlap with arXiv:1701.06494
Subjects: Chemical Physics (physics.chem-ph); Numerical Analysis (math.NA); Computational Physics (physics.comp-ph)
[9]  arXiv:1709.06220 [pdf, other]
Title: SpectraPlot.com: Integrated Spectroscopic Modeling of Atomic and Molecular Gases
Journal-ref: Journal of Quantitative Spectroscopy and Radiative Transfer 200, 249-257, (2017)
Subjects: Chemical Physics (physics.chem-ph)
[10]  arXiv:1709.06184 [pdf]
Title: X-ray Emission Spectrum of Liquid Ethanol : Origin of Split Peaks
Comments: 21 pages, 8 figures
Subjects: Chemical Physics (physics.chem-ph)
[11]  arXiv:1709.06152 [pdf, other]
Title: Genetic fitting techniques for precision ultracold spectroscopy
Subjects: Chemical Physics (physics.chem-ph); Atomic Physics (physics.atom-ph)

Tue, 19 Sep 2017

[12]  arXiv:1709.05740 [pdf, other]
Title: Decoding the spectroscopic features and timescales of aqueous proton defects
Comments: 8 page manuscript (6 figures) with 8 page supplementary information (9 figures)
Subjects: Chemical Physics (physics.chem-ph)
[13]  arXiv:1709.05704 [pdf, other]
Title: Adsorption of the astatine species on gold surface: a relativistic density functional theory study
Subjects: Chemical Physics (physics.chem-ph)
[14]  arXiv:1709.05636 [pdf, ps, other]
Title: A reversible numerical integrator of the isokinetic equations of motion
Authors: Dimitri Laikov
Comments: submitted to the Journal of Chemical Physics
Subjects: Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)
[15]  arXiv:1709.05609 [pdf]
Title: Virtual Molecular Dynamics
Comments: 60 pages, 42 figures, 3 tables
Subjects: Chemical Physics (physics.chem-ph); Soft Condensed Matter (cond-mat.soft); Biological Physics (physics.bio-ph)
[16]  arXiv:1709.05578 [pdf]
Title: Modified-Bloch Equation Based on Fractal Derivative for Analyzing PFG Anomalous Diffusion
Authors: Guoxing Lin
Comments: 12 pages, 4 figures, this article draws heavily from arXiv:1702.07116
Subjects: Chemical Physics (physics.chem-ph); Statistical Mechanics (cond-mat.stat-mech)
[17]  arXiv:1709.05452 [pdf]
Title: Final State Resolved Quantum Predissociation Dynamics of SO2(C1B2) and Its Isotopomers via a Crossing with a Singlet Repulsive State
Journal-ref: J. Phys. Chem. A 2017, 121, 4930-4938
Subjects: Chemical Physics (physics.chem-ph)
[18]  arXiv:1709.06045 (cross-list from cond-mat.stat-mech) [pdf, other]
Title: Thermodynamically Consistent Coarse Graining of Biocatalysts beyond Michaelis--Menten
Comments: 10 pages, 4 figures
Subjects: Statistical Mechanics (cond-mat.stat-mech); Chemical Physics (physics.chem-ph); Molecular Networks (q-bio.MN)
[19]  arXiv:1709.05561 (cross-list from cond-mat.stat-mech) [pdf, other]
Title: Exact combinatorial approach to finite coagulating systems
Subjects: Statistical Mechanics (cond-mat.stat-mech); Chemical Physics (physics.chem-ph)
[20]  arXiv:1709.05553 (cross-list from physics.comp-ph) [pdf, ps, other]
Title: Accurate Anisotropic Gaussian Type Orbital Basis Sets for Atoms in Strong Magnetic Fields
Subjects: Computational Physics (physics.comp-ph); Chemical Physics (physics.chem-ph)

Mon, 18 Sep 2017 (showing first 5 of 9 entries)

[21]  arXiv:1709.05084 [pdf, ps, other]
Title: Identification of Ultrafast Photophysical Pathways in Photoexcited Organic Heterojunctions
Comments: Final, published version
Journal-ref: J. Phys. Chem. C 121 (36), 19602-19618 (2017)
Subjects: Chemical Physics (physics.chem-ph)
[22]  arXiv:1709.05075 [pdf, ps, other]
Title: How accurate is density functional theory at predicting dipole moments? An assessment using a new database of 200 benchmark values
Subjects: Chemical Physics (physics.chem-ph); Other Condensed Matter (cond-mat.other); Quantum Physics (quant-ph)
[23]  arXiv:1709.05073 [pdf, ps, other]
Title: Theory of voltammetry in charged porous media
Subjects: Chemical Physics (physics.chem-ph)
[24]  arXiv:1709.04985 [pdf, other]
Title: Analytic Gradients for Complete Active Space Pair-Density Functional Theory
Subjects: Chemical Physics (physics.chem-ph)
[25]  arXiv:1709.05204 (cross-list from cond-mat.soft) [pdf, ps, other]
Title: Phase diagrams for sticky rods in bulk and in a monolayer from a lattice free-energy functional for anisotropic particles with depletion attractions
Subjects: Soft Condensed Matter (cond-mat.soft); Chemical Physics (physics.chem-ph)
[ total of 36 entries: 1-25 | 26-36 ]
[ showing 25 entries per page: fewer | more | all ]

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