Chemical Physics
ARTICLE
|
doi:10.20944/preprints202408.2214.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
TDDFT; charge-transfer; Graphene; Dopamine; Zwitterion; Quinone
Online: 30 August 2024 (04:57:55 CEST)
Mon, 19 August 2024
ARTICLE
|
doi:10.20944/preprints202408.1345.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
TAO-DFT; OEEFs; electronic properties; acenes; multi-reference character
Online: 19 August 2024 (12:24:25 CEST)
Wed, 31 July 2024
REVIEW
|
doi:10.20944/preprints202407.2601.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
sodium-ion battery; energy storage; cell safety; cell components; full battery pack; thermal runaway
Online: 31 July 2024 (15:20:24 CEST)
Tue, 30 July 2024
ARTICLE
|
doi:10.20944/preprints202407.2446.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
shape memory alloys; martensitic transformation; phonon softening; transformation temperature; heat and entropy; martensite start temperature
Online: 30 July 2024 (10:37:47 CEST)
Mon, 22 July 2024
ARTICLE
|
doi:10.20944/preprints202407.1657.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
excitonic couplings; dielectric screening; chlorophylls; light-harvesting antenna
Online: 22 July 2024 (10:00:19 CEST)
Thu, 27 June 2024
REVIEW
|
doi:10.20944/preprints202406.1932.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
carbon quantum dots; energy storage; power storage; supercapacitor
Online: 27 June 2024 (10:39:04 CEST)
Mon, 17 June 2024
ARTICLE
|
doi:10.20944/preprints202406.1131.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Lithium-ion batteries; State of Charge; State of Health; Aging Effects; Simulation process
Online: 17 June 2024 (11:16:20 CEST)
Thu, 23 May 2024
ARTICLE
|
doi:10.20944/preprints202405.1547.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
commercial silk; graphene oxide; thermal treatment; pressure sensor; motion sensor
Online: 23 May 2024 (12:23:36 CEST)
Mon, 13 May 2024
REVIEW
|
doi:10.20944/preprints202405.0854.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
high current density; hydrogen evolution reaction; electrocatalyst; water splitting
Online: 13 May 2024 (12:30:45 CEST)
Mon, 1 April 2024
ARTICLE
|
doi:10.20944/preprints202404.0012.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Colloidal particles; Zeta potential; Monte Carlo; dielectric constant; charge inversion
Online: 1 April 2024 (10:11:39 CEST)
Mon, 25 March 2024
ARTICLE
|
doi:10.20944/preprints202403.1424.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Li-ion battery; fire; safety; thermal runaway; toxicity; water; firefighting; pollutants
Online: 25 March 2024 (08:46:25 CET)
Thu, 22 February 2024
REVIEW
|
doi:10.20944/preprints202402.1318.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
lithium-ion; battery cells; expansion measurements; volume expansion; thickness changes
Online: 22 February 2024 (16:12:51 CET)
Fri, 2 February 2024
ARTICLE
|
doi:10.20944/preprints202402.0095.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
catastrophic failure; lithium‐ion battery; thermal runaway; cylindrical cell design; battery safety
Online: 2 February 2024 (16:03:08 CET)
Mon, 18 December 2023
ARTICLE
|
doi:10.20944/preprints202312.1324.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Photochemical reactions; Donor-acceptor Systems; Time-resolved Spectroscopy; Organic materials; Conjugated Polymers; Ultrafast Laser Spectroscopy; Photo Electron Transfer (PET)
Online: 18 December 2023 (12:47:30 CET)
ARTICLE
|
doi:10.20944/preprints202312.1266.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
stochastic modeling; chemical reactions; microscopic models; coalescence; radiative processes
Online: 18 December 2023 (09:14:46 CET)
ARTICLE
|
doi:10.20944/preprints202312.1255.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
finite-propagation velocity; positivity; stochastic processes; surface chemical reactions; viscoelasticity
Online: 18 December 2023 (06:16:38 CET)
Mon, 11 December 2023
ARTICLE
|
doi:10.20944/preprints202312.0724.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
TAO-DFT; graphene nano-parallelograms; multi-reference character; electronic properties
Online: 11 December 2023 (19:23:11 CET)
Tue, 28 November 2023
COMMUNICATION
|
doi:10.20944/preprints202311.1741.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
plasmonic nanomaterials; Fabry-Pé rot nanocavity; bottom-up solution methods; opaque; semitransparent devices
Online: 28 November 2023 (07:25:24 CET)
Thu, 23 November 2023
ARTICLE
|
doi:10.20944/preprints202311.1483.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
polyanilines; fluorescence spectroscopy; photovoltaic properties; photoconductivity; thin films; copolymers; electronic components
Online: 23 November 2023 (05:39:45 CET)
Thu, 9 November 2023
ARTICLE
|
doi:10.20944/preprints202311.0631.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
matter aggregation; mesoscale; nanoscale; granule evolution; stochastic quantization; quantum-size effect; Heisenberg type relation for the granule evolution; Fokker-Planck and diffusion type equation; nanostructure formation
Online: 9 November 2023 (10:10:21 CET)
Fri, 3 November 2023
REVIEW
|
doi:10.20944/preprints202311.0183.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Reichardts dye, solvatochromism; solvent mixtures; refractive index; solvent composition; average molar concentration
Online: 3 November 2023 (01:33:27 CET)
Mon, 16 October 2023
ARTICLE
|
doi:10.20944/preprints202310.0907.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
polyamine; antimicrobial; bacteria; yeast; synergy; bactericidal; fungistatic
Online: 16 October 2023 (05:36:24 CEST)
Fri, 22 September 2023
ARTICLE
|
doi:10.20944/preprints202309.1546.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
RT-TAO-DFT; TAO-DFT; multi-reference character; real-time electron dynamics; time-dependent properties; high-order harmonic generation
Online: 22 September 2023 (11:40:32 CEST)
Thu, 27 July 2023
ARTICLE
|
doi:10.20944/preprints202307.1856.v1
Online: 27 July 2023 (09:27:11 CEST)
Tue, 25 July 2023
HYPOTHESIS
|
doi:10.20944/preprints202307.1664.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Entropy, Chemical Thermodynamics, Free Energy, Reaction Energy Landscape, Microstates, Micropathways, Non-Equilibrium, Kinetics, Entropic Funnel
Online: 25 July 2023 (07:43:18 CEST)
Wed, 21 June 2023
ARTICLE
|
doi:10.20944/preprints202306.1544.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
n(t)-curves; modelling nucleation; Richards model, Model of Johnson-Mehl-Avrami-Kolmogorov; timescale of a phenomenon; cusp catastrophe
Online: 21 June 2023 (11:51:21 CEST)
Thu, 8 June 2023
ARTICLE
|
doi:10.20944/preprints202306.0608.v1
Online: 8 June 2023 (08:25:02 CEST)
Mon, 15 May 2023
REVIEW
|
doi:10.20944/preprints202305.0970.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
mixed metal oxide sensors; nanoparticles interaction; morphology; structure; sensing properties
Online: 15 May 2023 (03:34:15 CEST)
Mon, 24 April 2023
ARTICLE
|
doi:10.20944/preprints202304.0854.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
TAO-DFT; Polarizable Continuum Model; multi-reference character
Online: 24 April 2023 (10:59:26 CEST)
Mon, 3 April 2023
ARTICLE
|
doi:10.20944/preprints202304.0012.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Molecular Dynamics; SARS-CoV-2 variants of concern; 3CLpro; viral load
Online: 3 April 2023 (07:25:07 CEST)
Wed, 19 October 2022
ARTICLE
|
doi:10.20944/preprints202210.0272.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
polyethylene glycol; monodisperse PEG; reversed-phase chromatography; thermodynamic analysis; modelling
Online: 19 October 2022 (07:39:14 CEST)
Wed, 12 January 2022
ARTICLE
|
doi:10.20944/preprints202201.0179.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Zirconium oxide; powder nanotechnologies; nanoionic capacitors; nanoelectronics; dimensional effects
Online: 12 January 2022 (17:46:13 CET)
Tue, 19 October 2021
ARTICLE
|
doi:10.20944/preprints202110.0269.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
Hydrogen; DFT; Electronic Properties; Energy Storage; Perovskite type Hydrides
Online: 19 October 2021 (10:37:03 CEST)
Tue, 28 September 2021
ARTICLE
|
doi:10.20944/preprints202109.0469.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
heat transfer; mass transfer; convection-radiation; surface reaction; diffusion approximation; finite difference.
Online: 28 September 2021 (11:38:54 CEST)
Mon, 30 August 2021
ARTICLE
|
doi:10.20944/preprints202108.0546.v1
Online: 30 August 2021 (14:05:35 CEST)
Mon, 7 June 2021
ARTICLE
|
doi:10.20944/preprints202106.0178.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
generalized nonlinear constitutive law; composite beam; Timoshenko beam; Bernoulli beam
Online: 7 June 2021 (12:48:26 CEST)
Fri, 18 September 2020
ARTICLE
|
doi:10.20944/preprints202009.0437.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
wetting of soluble substrates; spreading; evaporation; polymer coating; surface topography
Online: 18 September 2020 (12:07:46 CEST)
Wed, 5 February 2020
ARTICLE
|
doi:10.20944/preprints202002.0053.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
plasma diagnostics; molecular spectra; diatomic molecules; plasma spectroscopy; laser spectroscopy; laser-induced breakdown spectroscopy; optical emission spectroscopy; molecular excitation temperature; combustion analysis; astrophysical spectroscopy
Online: 5 February 2020 (03:27:47 CET)
Thu, 19 December 2019
ARTICLE
|
doi:10.20944/preprints201912.0259.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
hydrate; propane; normal butane; equilibrium pressure
Online: 19 December 2019 (13:10:12 CET)
Thu, 28 March 2019
ARTICLE
|
doi:10.20944/preprints201903.0254.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
metabolomics; sphingomyelins; plasma; cerebral small vessel disease; neurodegeneration; brain atropy
Online: 28 March 2019 (05:27:23 CET)
Fri, 8 March 2019
ARTICLE
|
doi:10.20944/preprints201903.0106.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
sterile aggregates; remediation of waste water; peat; biochar
Online: 8 March 2019 (08:57:21 CET)
Fri, 30 November 2018
REVIEW
|
doi:10.20944/preprints201811.0625.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
organic solar cells; perovskite solar cells; encapsulation; stability
Online: 30 November 2018 (09:38:24 CET)
Thu, 29 November 2018
REVIEW
|
doi:10.3390/sci1010005.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
carbocyanine dyes; isomerization; trans and cis isomers; meso-substituted cyanines
Online: 29 November 2018 (00:00:00 CET)
Tue, 16 October 2018
COMMUNICATION
|
doi:10.20944/preprints201810.0339.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
electron paramagnetic resonance; EPR; multi-frequency EPR; high-spin cobalt complex; resolution of A-mid
Online: 16 October 2018 (08:04:16 CEST)
Fri, 16 March 2018
REVIEW
|
doi:10.20944/preprints201803.0134.v1
Subject:
Physical Sciences,
Chemical Physics
Keywords:
aptamer; aptasensor; electrical properties; networks; proteotronics
Online: 16 March 2018 (11:12:17 CET)
Tue, 23 January 2018
ARTICLE
|
doi:10.20944/preprints201801.0211.v1
Online: 23 January 2018 (06:43:31 CET)
Mon, 18 July 2016
ARTICLE
|
doi:10.20944/preprints201607.0048.v1
Online: 18 July 2016 (10:36:38 CEST)