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Chemical Physics

Authors and titles for recent submissions

[ total of 27 entries: 1-25 | 26-27 ]
[ showing 25 entries per page: fewer | more | all ]

Fri, 22 Jun 2018

[1]  arXiv:1806.08314 [pdf]
Title: Coherent multidimensional spectroscopy of dilute gas-phase nanosystems
Subjects: Chemical Physics (physics.chem-ph)
[2]  arXiv:1806.08116 (cross-list from cond-mat.mtrl-sci) [pdf]
Title: The structure of near stoichiometric Ge-Ga-Sb-S glasses: a reverse Monte Carlo study
Comments: 23 pages, 5 figures, submitted to Journal of Non-crystalline Solids
Subjects: Materials Science (cond-mat.mtrl-sci); Disordered Systems and Neural Networks (cond-mat.dis-nn); Chemical Physics (physics.chem-ph)

Thu, 21 Jun 2018

[3]  arXiv:1806.07835 [pdf, other]
Title: Configuration Interaction Singles with Spin-Orbit Coupling: Constructing Spin-Adiabatic States and Their Analytical Nuclear Gradients
Comments: 23 pages, 2 figures
Subjects: Chemical Physics (physics.chem-ph)
[4]  arXiv:1806.07821 [pdf, other]
Title: Phase-Space Wavepacket Dynamics of Internal Conversion via Conical Intersection: Multi-State Quantum Fokker-Planck Equation Approach
Comments: 13 pages, 9 figures
Subjects: Chemical Physics (physics.chem-ph)
[5]  arXiv:1806.07655 [pdf]
Title: Analysis of Trajectory Similarity and Configuration Similarity in On-the-Fly Surface-Hopping Simulation on Multi-Channel Nonadiabatic Photoisomerization Dynamics
Subjects: Chemical Physics (physics.chem-ph)
[6]  arXiv:1806.07628 [pdf]
Title: Empirical corrections and pair interaction energies in the fragment molecular orbital method
Comments: Revised version accepted in Chemical Physics Letters
Subjects: Chemical Physics (physics.chem-ph)
[7]  arXiv:1806.07455 [pdf, other]
Title: Unravelling the stereodynamics of cold HD-H2 collisions
Comments: 5 pages, 4 figures
Subjects: Chemical Physics (physics.chem-ph)
[8]  arXiv:1806.07443 [pdf, ps, other]
Title: Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature
Comments: 7 figures
Subjects: Chemical Physics (physics.chem-ph)
[9]  arXiv:1806.07852 (cross-list from cond-mat.dis-nn) [pdf]
Title: Atomic level structure of Ge-Sb-S glasses: chemical short range order and long Sb-S bonds
Comments: 23 pages, 6 figures, submitted to Journal of Alloys and Compounds
Subjects: Disordered Systems and Neural Networks (cond-mat.dis-nn); Chemical Physics (physics.chem-ph)
[10]  arXiv:1806.07532 (cross-list from cond-mat.mtrl-sci) [pdf]
Title: Faraday-cage screening reveals intrinsic aspects of the van der Waals attraction
Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph)

Wed, 20 Jun 2018

[11]  arXiv:1806.07252 [pdf, other]
Title: Collective conical intersections through light-matter coupling in a cavity
Authors: Oriol Vendrell
Comments: 5 pages, 3 figures
Subjects: Chemical Physics (physics.chem-ph); Atomic Physics (physics.atom-ph)
[12]  arXiv:1806.06989 [pdf]
Title: Reaction Kinetics in the Production of Pd Nanoparticles in Reverse Microemulsions. Effect on Particle Size
Subjects: Chemical Physics (physics.chem-ph); Soft Condensed Matter (cond-mat.soft)
[13]  arXiv:1806.06982 [pdf, other]
Title: FACE gasoline surrogates formulated by an enhanced multivariate optimization framework
Comments: 48 pages, 7 figures
Subjects: Chemical Physics (physics.chem-ph)
[14]  arXiv:1806.06969 [pdf]
Title: Superhalogen and Superacid. Superalkali and Superbase
Comments: 43 pages (unformatted), 24 figures, 14 tables, 64 references
Subjects: Chemical Physics (physics.chem-ph)
[15]  arXiv:1806.07013 (cross-list from cond-mat.mtrl-sci) [pdf, other]
Title: Optoelectronic Properties of Rectangular Graphene Quantum Dots: Pariser-Parr-Pople Model Based Computational Study
Comments: main text 24 pages + 7 figures, supporting information 17 pages
Subjects: Materials Science (cond-mat.mtrl-sci); Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Chemical Physics (physics.chem-ph)

Tue, 19 Jun 2018

[16]  arXiv:1806.06737 [pdf, other]
Title: ISA-Pol: Distributed polarizabilities and dispersion models from a basis-space implementation of the iterated stockholder atoms procedure
Comments: 18 pages, 9 figures
Subjects: Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph); Quantum Physics (quant-ph)
[17]  arXiv:1806.06147 [pdf, other]
Title: Semiempirical Molecular Orbital Models based on the Neglect of Diatomic Differential Overlap Approximation
Comments: 109 pages, 21 figures, 10 tables
Subjects: Chemical Physics (physics.chem-ph); Materials Science (cond-mat.mtrl-sci); Computational Physics (physics.comp-ph)
[18]  arXiv:1806.06669 (cross-list from physics.app-ph) [pdf, other]
Title: Chemical Characterization of Aerosol Particles Using On-chip Photonic Cavity Enhanced Spectroscopy
Comments: photonics, aerosol sensing, optics, chem-biosensing, cavity enhanced sensing
Subjects: Applied Physics (physics.app-ph); Biological Physics (physics.bio-ph); Chemical Physics (physics.chem-ph)
[19]  arXiv:1806.06667 (cross-list from physics.app-ph) [pdf]
Title: A UV-cured nanofibrous membrane of vinylbenzylated gelatin-poly(epsilon-caprolactone) dimethacrylate co-network by scalable free surface electrospinning
Comments: 11 Figures, 1 Table, to appear in Materials Science and Engineering C
Subjects: Applied Physics (physics.app-ph); Chemical Physics (physics.chem-ph)
[20]  arXiv:1806.06647 (cross-list from physics.app-ph) [pdf]
Title: Thermal Energy Grid Storage Using Multijunction Photovoltaics
Comments: corresponding author ase@mit.edu
Subjects: Applied Physics (physics.app-ph); Chemical Physics (physics.chem-ph)
[21]  arXiv:1806.06431 (cross-list from quant-ph) [pdf, other]
Title: Local fluctuations of vibrational polaritons monitored by two-dimensional infrared spectroscopy
Comments: 11 pages, 6 figures
Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph)
[22]  arXiv:1806.06404 (cross-list from physics.ins-det) [pdf, other]
Title: A Raman-spectroscopy-based sensor for rapid, accurate, and precise concentration measurements of a methanol-water mixture
Comments: 8 pages, 6 figures
Subjects: Instrumentation and Detectors (physics.ins-det); Chemical Physics (physics.chem-ph)
[23]  arXiv:1806.06346 (cross-list from physics.atm-clus) [pdf]
Title: Medium-sized Sin- (n=14-20) clusters: a combined study of photoelectron spectroscopy and DFT calculations
Comments: 9 pages, 4 figures, 3 tables
Subjects: Atomic and Molecular Clusters (physics.atm-clus); Other Condensed Matter (cond-mat.other); Chemical Physics (physics.chem-ph)
[24]  arXiv:1806.06262 (cross-list from quant-ph) [pdf, other]
Title: Ultrafast dissipative spin-state dynamics triggered by X-ray pulse trains
Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph)

Mon, 18 Jun 2018 (showing first 1 of 3 entries)

[25]  arXiv:1806.06006 [pdf, other]
Title: Predicting polymorphism in molecular crystals using orientational entropy
Comments: 7 pages, 4 figures
Subjects: Chemical Physics (physics.chem-ph); Statistical Mechanics (cond-mat.stat-mech)
[ total of 27 entries: 1-25 | 26-27 ]
[ showing 25 entries per page: fewer | more | all ]

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