ARTICLE
|
doi:10.20944/preprints202402.1617.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
ionic liquids; ZIF-8; density functional theory
Online: 28 February 2024 (08:31:34 CET)
ARTICLE
|
doi:10.20944/preprints202401.1911.v1
Subject:
Chemistry And Materials Science,
Ceramics And Composites
Keywords:
Al2O3, Fracture Toughness, Density Functional Theory, Molecular Dynamics
Online: 26 January 2024 (11:55:29 CET)
ARTICLE
|
doi:10.20944/preprints202312.0155.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
density functional theory; Hohenberg-Kohn theorem; entropic inference; method of maximum entropy; inhomogeneous fluids
Online: 4 December 2023 (06:58:45 CET)
ARTICLE
|
doi:10.20944/preprints201909.0286.v1
Subject:
Chemistry And Materials Science,
Surfaces, Coatings And Films
Keywords:
pd doped graphyne; dissolved gases; adsorption; density functional theory (dft)
Online: 25 September 2019 (16:01:58 CEST)
ARTICLE
|
doi:10.20944/preprints202103.0543.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Density Functional Theory; AA, UA, and DA Detections; Graphene Oxide
Online: 22 March 2021 (15:39:07 CET)
ARTICLE
|
doi:10.20944/preprints202302.0116.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
density functional theory; information theory; excited-state polarizability; ESIPT (excited-state intramolecular proton transfer)
Online: 7 February 2023 (03:18:55 CET)
ARTICLE
|
doi:10.20944/preprints201705.0005.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
azomethine imine; [3+2] cycloaddition reactions; molecular electron density theory; conceptual density functional theory; electron localisation function; bonding evolution theory; electron density; molecular mechanisms; chemical reactivity.
Online: 1 May 2017 (08:13:26 CEST)
ARTICLE
|
doi:10.20944/preprints202207.0080.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
density functional theory (DFT); information-theoretic approach (ITA); base pairs; peptides; molecular polarizability
Online: 6 July 2022 (03:04:51 CEST)
ARTICLE
|
doi:10.20944/preprints202311.0751.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Density Functional Theory; Methanol dehydrogenation reaction; Nudged Elastic Band; Activation Energy; Reaction Energy
Online: 13 November 2023 (11:00:13 CET)
ARTICLE
|
doi:10.20944/preprints202312.2301.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
cannabinoids; density functional theory; transition state theory
Online: 3 January 2024 (09:58:04 CET)
ARTICLE
|
doi:10.20944/preprints202207.0128.v1
Subject:
Chemistry And Materials Science,
Metals, Alloys And Metallurgy
Keywords:
nickelbase alloys; phase stability; density functional theory
Online: 8 July 2022 (03:12:45 CEST)
ARTICLE
|
doi:10.20944/preprints202309.1437.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
ferroelectric; heterostructure; Density Functional Theory; 2DEG; ME coupling
Online: 21 September 2023 (08:08:35 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0672.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
ionic Diels-Alder reactions; Molecular Electron Density Theory; iminium cations; superelectrophiles; global electron density transfer, asynchronicity.
Online: 27 May 2021 (13:56:43 CEST)
ARTICLE
|
doi:10.20944/preprints202106.0568.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
intramolecular ionic Diels-Alder reactions; Molecular Electron Density Theory; dieniminiums; superelectrophiles; global electron density transfer
Online: 23 June 2021 (11:10:59 CEST)
ARTICLE
|
doi:10.20944/preprints202311.1395.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Graphane; divacancy; lithiation; density functional theory; charge doping; conductivity
Online: 22 November 2023 (07:27:15 CET)
ARTICLE
|
doi:10.20944/preprints202304.0123.v1
Subject:
Chemistry And Materials Science,
Metals, Alloys And Metallurgy
Keywords:
vacancies; diffusion; metals; density functional theory; embedded atom method
Online: 7 April 2023 (10:52:54 CEST)
ARTICLE
|
doi:10.20944/preprints202211.0334.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
CO2 reduction; copper catalysts; metal doping; density functional calculations
Online: 17 November 2022 (10:00:37 CET)
ARTICLE
|
doi:10.20944/preprints201804.0080.v2
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Belite; hydration; Density Functional Theory; water adsorption; calcium silicate
Online: 2 August 2018 (08:46:23 CEST)
COMMUNICATION
|
doi:10.20944/preprints201807.0221.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
N14; N18; density functional theory (DFT); high energy; stability
Online: 13 July 2018 (03:35:47 CEST)
ARTICLE
|
doi:10.20944/preprints201701.0031.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
TFT; complexes; luminescent; synthesis; Density functional theory (DFT)-computation
Online: 6 January 2017 (09:47:23 CET)
ARTICLE
|
doi:10.20944/preprints202101.0562.v1
Subject:
Physical Sciences,
Particle And Field Physics
Keywords:
zero-point energy density; vacuum energy density; Standard Model parameters; mass spectrum; Renormalization Group flow; Higgs mechanism; cosmological constant problem
Online: 27 January 2021 (13:11:39 CET)
ARTICLE
|
doi:10.20944/preprints201906.0199.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Chalcogenide crystals, electronic structure, optical properties, mechanical properties, total bond order density, density functional theory.
Online: 20 June 2019 (11:40:05 CEST)
ARTICLE
|
doi:10.20944/preprints202401.2026.v1
Subject:
Engineering,
Mining And Mineral Processing
Keywords:
red mud; hydrochloric acid; desorption; density functional theory; molecular dynamics
Online: 29 January 2024 (12:33:32 CET)
ARTICLE
|
doi:10.20944/preprints202312.0145.v2
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
oxygen evolution reaction; Density Functional Theory; reaction mechanisms; spinel oxides
Online: 27 December 2023 (09:10:18 CET)
ARTICLE
|
doi:10.20944/preprints202305.1883.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
high mobility; thin film transistors; SnON; SnO2; density functional theory
Online: 26 May 2023 (07:54:32 CEST)
REVIEW
|
doi:10.20944/preprints202211.0444.v1
Subject:
Chemistry And Materials Science,
Electrochemistry
Keywords:
Density functional theory; Descriptor; Carbon-based materials; Electrocatalysis; Low dimension
Online: 23 November 2022 (11:04:03 CET)
ARTICLE
Subject:
Physical Sciences,
Acoustics
Keywords:
delocalization index; bond order; density-functional theory; high-performance computing.
Online: 21 May 2021 (15:16:47 CEST)
ARTICLE
|
doi:10.20944/preprints201812.0101.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Vibrational spectroscopy; Matched filter; Signal processing; Density functional theory; Anharmonicity
Online: 10 December 2018 (12:41:14 CET)
COMMUNICATION
|
doi:10.20944/preprints201806.0369.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
lanthanides; single-ion magnets; spin qubits; polyoxopalladates; density functional theory
Online: 25 June 2018 (05:23:51 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1113.v1
Subject:
Chemistry And Materials Science,
Electrochemistry
Keywords:
oxygen defects; density functional theory; aqueous zinc-ion batteries; vanadium oxides
Online: 20 February 2024 (07:51:36 CET)
ARTICLE
|
doi:10.20944/preprints202312.2109.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Copper-doped zinc oxide clusters; Density functional theory; Structural evolution; Reactivity
Online: 27 December 2023 (11:52:58 CET)
ARTICLE
|
doi:10.20944/preprints202312.0442.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
hydroxyapatite; substitution; doping; magnesium; synthesis; mechanochemistry; thermal stability; density functional theory
Online: 7 December 2023 (07:43:22 CET)
ARTICLE
|
doi:10.20944/preprints202208.0028.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
310-helix; hydrogen bond energy; density functional theory; negative fragmentation analysis
Online: 2 August 2022 (03:15:55 CEST)
ARTICLE
|
doi:10.20944/preprints202206.0399.v1
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
carbazole; OH radical; rate constants; oxidation mechanism; density functional theory (DFT)
Online: 29 June 2022 (08:19:43 CEST)
ARTICLE
|
doi:10.20944/preprints201908.0085.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
iodate; crystal structure; x-ray diffraction; density functional theory; infrared absorption
Online: 7 August 2019 (03:42:19 CEST)
ARTICLE
|
doi:10.20944/preprints202307.1019.v1
Subject:
Physical Sciences,
Astronomy And Astrophysics
Keywords:
Density wave theory; co-rotation; spiral arms; spiral arm dark gaps; trail effects
Online: 14 July 2023 (13:08:30 CEST)
ARTICLE
|
doi:10.20944/preprints202210.0019.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
peroxidase; density functional calculations; compound I; compound II; ferryl oxygen; reduction potential.
Online: 4 October 2022 (11:00:26 CEST)
REVIEW
|
doi:10.20944/preprints202108.0429.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
oxidation; transition metal compounds; density functional theory; charge self-regulation; oxygen redox.
Online: 23 August 2021 (11:00:48 CEST)
ARTICLE
|
doi:10.20944/preprints202008.0692.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
metal organic frameworks; SURMOF; absorption; emission; time-dependent density functional theory; aggregation
Online: 31 August 2020 (04:11:54 CEST)
ARTICLE
|
doi:10.20944/preprints202008.0153.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
transition metal oxides; density functional theory; DFT+U; materials modelling; phase diagrams
Online: 6 August 2020 (10:32:01 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0139.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Silicon clathrates; Electronic structure; Elastic constants; High pressure; Density Functional Theory; Castep
Online: 8 November 2018 (14:08:28 CET)
ARTICLE
|
doi:10.20944/preprints201804.0208.v1
Subject:
Environmental And Earth Sciences,
Geophysics And Geology
Keywords:
fracture density; double-layer model; unconventional reservoirs; multicomponent seismic; shear-wave splitting
Online: 16 April 2018 (11:33:54 CEST)
ARTICLE
|
doi:10.20944/preprints202001.0232.v1
Subject:
Computer Science And Mathematics,
Analysis
Keywords:
sextic mapping; general sextic functional equation; fixed point theory method; generalized Hyers-Ulam stability
Online: 21 January 2020 (06:41:11 CET)
ARTICLE
|
doi:10.20944/preprints202402.0251.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
B3LYP hybrid functional; solvent effect; geometry optimization; electron structure; spin density; electron transitions
Online: 5 February 2024 (13:30:03 CET)
ARTICLE
|
doi:10.20944/preprints202310.2094.v1
Subject:
Public Health And Healthcare,
Health Policy And Services
Keywords:
micronutients; functional foods; olive paste; bone mineral density; bone metabolism biomarkers; postmenopausal women
Online: 31 October 2023 (12:25:22 CET)
ARTICLE
|
doi:10.20944/preprints202309.0625.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
CuS; CuSe; density functional theory; electronic structure; elastic constants; transport properties; power factor
Online: 11 September 2023 (04:00:14 CEST)
ARTICLE
|
doi:10.20944/preprints202112.0266.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
Density Functional Theory; Molecular Dynamics; Umbrella Sampling; Brownian Dynamics; Multiscale; Nanoparticle; Aggregation; Clustering
Online: 16 December 2021 (10:51:29 CET)
ARTICLE
|
doi:10.20944/preprints202101.0488.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Metal-carbonyl complexes; [FeFe]-hydrogenases; density functional theory; time-dependent DFT; organometallic photochemistry
Online: 25 January 2021 (11:43:03 CET)
ARTICLE
|
doi:10.20944/preprints202012.0308.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
MAX phases; MXenes; density functional calculations; exfoliation energies; synthesizability; chemical descriptors; CO2 capture
Online: 14 December 2020 (08:28:22 CET)
ARTICLE
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
high temperature copper-oxide superconductors; time-dependent density functional theory; electron-pairing medium
Online: 10 July 2019 (10:29:23 CEST)
ARTICLE
|
doi:10.20944/preprints201902.0237.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
PCTA/PT/DTs; formation mechanism; radical/molecule coupling; density functional theory; rate constant
Online: 26 February 2019 (11:29:37 CET)
ARTICLE
|
doi:10.20944/preprints202012.0364.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Molecular Electron Density Theory; Norbornadiene; Diazoalkanes; Conceptual DFT; Electron Localization Function.
Online: 15 December 2020 (10:04:22 CET)
ARTICLE
|
doi:10.20944/preprints201607.0017.v1
Subject:
Physical Sciences,
Particle And Field Physics
Keywords:
photothermal theory; carrier density; magnetic field; the harmonic wave; two temperature
Online: 9 July 2016 (11:00:24 CEST)
CONCEPT PAPER
|
doi:10.20944/preprints202106.0075.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Chemical bonding; nanostructured materials; electron diffraction; quantum crystallography; QCBED; Density Functional Theory; QCBED-DFT
Online: 2 June 2021 (12:19:23 CEST)
ARTICLE
|
doi:10.20944/preprints202009.0147.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
non-polar [3+2] cycloaddition reactions; regioselectivity; molecular electron density theory; electronegativity
Online: 6 September 2020 (15:59:37 CEST)
ARTICLE
|
doi:10.20944/preprints202312.1647.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
transition metal complexes; oxide nanomaterials; NiO; molecular precursors; chemical vapor deposition; density functional theory; simulations
Online: 21 December 2023 (14:40:00 CET)
ARTICLE
|
doi:10.20944/preprints202312.0759.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
N-H bond activation of ammonia; support effect; boron nitride; ruthenium; density functional theory calculation.
Online: 12 December 2023 (06:40:25 CET)
ARTICLE
|
doi:10.20944/preprints202310.0103.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
quinones; machine learning; ridge regression; decision tree; ensemble methods; density functional theory; organic electrode materials
Online: 3 October 2023 (09:14:18 CEST)
REVIEW
|
doi:10.20944/preprints201809.0188.v1
Subject:
Chemistry And Materials Science,
Electrochemistry
Keywords:
origins of life; prebiotic chemistry; mineral catalysis; sulfide minerals; mineral diversity; density functional theory; electrocatalysis
Online: 11 September 2018 (08:39:51 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0462.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
London dispersion; ketone complexes; density functional theory; hydrogen bonds; molecular recognition; vibrational spectroscopy; gas phase; benchmark
Online: 20 July 2021 (16:06:47 CEST)
ARTICLE
|
doi:10.20944/preprints202401.1827.v1
Subject:
Computer Science And Mathematics,
Applied Mathematics
Keywords:
Generalized Brownian Motion (GBM), probability density function (PDF),matrix exponential of A (geodesic equations (GEs).
Online: 25 January 2024 (14:10:23 CET)
ARTICLE
|
doi:10.20944/preprints202401.1800.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
hydroxyapatite; manganese substitution; density functional theory; lattice parameters; formation energy; mechanochemical synthesis; energy band levels; band gap
Online: 25 January 2024 (06:35:44 CET)
ARTICLE
|
doi:10.20944/preprints202309.1818.v1
Subject:
Chemistry And Materials Science,
Electronic, Optical And Magnetic Materials
Keywords:
lead(II); metal-organic framework; pyrimidine-4,6-dicarboxylate; new topology; photoluminescence properties; time-dependent density-functional theory
Online: 27 September 2023 (10:50:07 CEST)
ARTICLE
|
doi:10.20944/preprints202009.0643.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
dispersion; ketone-alcohol complexes; density functional theory; hydrogen bonds; molecular recognition; vibrational spectroscopy; gas phase; benchmark; pinacolone
Online: 26 September 2020 (14:57:33 CEST)
ARTICLE
|
doi:10.20944/preprints201911.0227.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
selenite; chalcomenite; crystal structure; x-ray diffraction; raman spectroscopy; high pressure; equation of state; density functional theory
Online: 19 November 2019 (10:03:25 CET)
ARTICLE
|
doi:10.20944/preprints201701.0058.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
spin crossover; density functional calculations; Hubbard model; solid state; Slichter-Drickamer model; Monte Carlo simulation; Ising model
Online: 11 January 2017 (09:17:46 CET)
ARTICLE
|
doi:10.20944/preprints202004.0157.v1
Subject:
Engineering,
Civil Engineering
Keywords:
catastrophe border identification; sudden fire disaster; emergency management; cusp catastrophe theory; high-density urban area
Online: 9 April 2020 (14:41:43 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0176.v1
Subject:
Chemistry And Materials Science,
Electronic, Optical And Magnetic Materials
Keywords:
Poly(methyl methacrylate); Poly(cyclohexyl methacrylate); Tetraphenylethylene (TPE); Aggregation-induced emission; Density functional theory investigations; Luminescent solar concentrator
Online: 2 August 2023 (10:49:30 CEST)
ARTICLE
|
doi:10.20944/preprints202007.0406.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
x-ray photoelectron spectroscopy; XPS; self-assembled monolayer; SAM; collective electrostatic; band-structure calculation; density-functional theory; DFT
Online: 19 July 2020 (10:40:47 CEST)
ARTICLE
|
doi:10.20944/preprints201901.0208.v1
Subject:
Physical Sciences,
Applied Physics
Keywords:
Alzheimer's disease; graph theory; mutual information; network model; connection mechanism; functional magnetic resonance imaging; topological structures; anatomical distance
Online: 21 January 2019 (16:55:13 CET)
ARTICLE
|
doi:10.20944/preprints202305.0636.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
phosphorescent organic light-emitting diodes; heteroleptic Pt(II) complexes; C^N chelate; ancillary ligand; time-dependent density functional theory
Online: 9 May 2023 (10:25:25 CEST)
COMMUNICATION
|
doi:10.20944/preprints202209.0379.v1
Subject:
Chemistry And Materials Science,
Other
Keywords:
fullerene; graphene; molybdenum disulfide; carbon nanotubes; catalysts; density functional theory; enzymes; honeybee biomimicry; drones; depollution; doubly-charged negative ions
Online: 26 September 2022 (05:40:20 CEST)
COMMUNICATION
|
doi:10.20944/preprints202207.0008.v1
Subject:
Chemistry And Materials Science,
Chemical Engineering
Keywords:
fullerene, graphene, molybdenum disulfide, carbon nanotubes, catalysts, density functional theory, enzymes, honeybee biomimicry, drones, depollution, doubly-charged negative ions
Online: 1 July 2022 (08:12:59 CEST)
ARTICLE
|
doi:10.20944/preprints201911.0033.v4
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
temperature-independent superconductivity; circuit-approached superconductivity; electron pair; Bose– Einstein condensation; large superconducting energy gap; London equation; Meissner effect; macroscopic wave function; critical current density; negative voltages
Online: 20 February 2024 (22:14:28 CET)
ARTICLE
|
doi:10.20944/preprints202307.0483.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
(Hyper)polarizability; Density Functional Theory; Molecular Switches; Photochromism; Two-Photon absorption; Dithienylethene; bis(ethylene-1,2-dithiolato; Excited-state Energy Transfer
Online: 7 July 2023 (10:49:58 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1489.v1
Subject:
Medicine And Pharmacology,
Pediatrics, Perinatology And Child Health
Keywords:
Adolescents; Assessment; Functional Somatic Disorders; Functional Somatic Syndromes; Psychoeducation
Online: 22 May 2023 (09:44:00 CEST)
REVIEW
|
doi:10.20944/preprints202107.0641.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
packing density; product density; small porous particles; corrugated particles
Online: 29 July 2021 (10:18:51 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0248.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
polymer brush bilayers; non-linear response regime; non-Newtonian complex fluids; stationary shear motion; density functional theory (DFT); scaling arguments; phenomenological arguments
Online: 19 December 2019 (07:10:21 CET)
ARTICLE
|
doi:10.20944/preprints202109.0078.v1
Subject:
Medicine And Pharmacology,
Orthopedics And Sports Medicine
Keywords:
Functional Fitness; High intensity Functional training; Periodization; Overreaching; Muscle recovery.
Online: 6 September 2021 (07:19:09 CEST)
ARTICLE
|
doi:10.20944/preprints202102.0123.v1
Online: 3 February 2021 (16:05:57 CET)
ARTICLE
|
doi:10.20944/preprints202307.1488.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
bis(arylydene)cycloalkanone dyes; photophysical properties; photochemical properties; absorption; luminescence; trans-cis isomerization; quantum chemistry; density functional theory; potential energy surface; conical intersection
Online: 21 July 2023 (08:49:19 CEST)
ARTICLE
|
doi:10.20944/preprints202401.1996.v1
Subject:
Computer Science And Mathematics,
Probability And Statistics
Keywords:
Shannon entropy functional; Ré nyi entropy functional; Tsallis non-extensive entropy functional; Lé vy stable distributions
Online: 29 January 2024 (06:46:29 CET)
ARTICLE
|
doi:10.20944/preprints201608.0078.v2
Subject:
Physical Sciences,
Mathematical Physics
Keywords:
Lie Group Thermodynamics; Moment map; Gibbs Density; Gibbs Equilibrium; Maximum Entropy; Information Geometry; Symplectic Geometry; Cartan-Poincaré Integral Invariant; Geometric Mechanics; Euler-Poincaré Equation; Fisher Metric; Gauge Theory; Affine Group
Online: 21 September 2016 (06:13:21 CEST)
REVIEW
|
doi:10.20944/preprints202312.0382.v1
Subject:
Biology And Life Sciences,
Neuroscience And Neurology
Keywords:
Functional neuroimaging; EEG oscillations; functional connectivity; hypnosis; hypnotizability; resting; cognitive neuroscience.
Online: 6 December 2023 (12:39:15 CET)
ARTICLE
|
doi:10.20944/preprints202209.0228.v1
Subject:
Medicine And Pharmacology,
Psychiatry And Mental Health
Keywords:
functional connectivity; functional magnetic-resonance imaging; resting state; mood disorders; classification
Online: 15 September 2022 (09:20:26 CEST)
REVIEW
|
doi:10.20944/preprints202111.0310.v1
Subject:
Computer Science And Mathematics,
Probability And Statistics
Keywords:
Functional Data Analysis (FDA); Hybrid Data; Semi-Functional Partial Linear Regression Model (SFPLR); Partial Functional Linear Regression; Literature Review
Online: 17 November 2021 (15:21:19 CET)
COMMUNICATION
|
doi:10.20944/preprints202401.0452.v1
Subject:
Engineering,
Marine Engineering
Keywords:
seawater density; spatial distribution model of density; latitude; Convolutional Neural Network
Online: 5 January 2024 (10:38:25 CET)
ARTICLE
|
doi:10.20944/preprints202109.0356.v1
Online: 21 September 2021 (11:14:09 CEST)
ARTICLE
|
doi:10.20944/preprints202402.0058.v2
Subject:
Biology And Life Sciences,
Food Science And Technology
Keywords:
Residual sugars; Density; Brix
Online: 22 February 2024 (07:51:47 CET)
ARTICLE
|
doi:10.20944/preprints202311.0096.v1
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
Chinese airports; density altitude
Online: 1 November 2023 (12:53:45 CET)
ARTICLE
|
doi:10.20944/preprints201810.0330.v2
Online: 17 July 2019 (11:18:54 CEST)
ARTICLE
|
doi:10.20944/preprints202311.1199.v1
Subject:
Biology And Life Sciences,
Life Sciences
Keywords:
high-density lipoproteins; apolipoprotein A-I; policosanol; exercise; paraoxonase; low-density lipoproteins
Online: 20 November 2023 (03:42:22 CET)
ARTICLE
|
doi:10.20944/preprints201809.0514.v1
Subject:
Engineering,
Control And Systems Engineering
Keywords:
Almost global stability, nonlinear switched systems, common Lyapunov density, multiple Lyapunov density
Online: 26 September 2018 (14:06:32 CEST)
ARTICLE
|
doi:10.20944/preprints201912.0163.v4
Subject:
Computer Science And Mathematics,
Probability And Statistics
Keywords:
ARCH; ARMA; functional data; functional principal components; functional time series; GARCH; invertible linear processes; parameter estimation; stationary solutions; Yule-Walker equation
Online: 23 September 2020 (04:32:09 CEST)
ARTICLE
|
doi:10.20944/preprints201905.0389.v1
Subject:
Computer Science And Mathematics,
Analysis
Keywords:
stability of a functional equation; general quintic functional equation; a general quintic mapping; general sextic functional equation; a general sextic mapping.
Online: 31 May 2019 (11:53:55 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0985.v1
Subject:
Computer Science And Mathematics,
Probability And Statistics
Keywords:
functional data analysis; unknown link function; generalized functional linear model average life expectancy
Online: 16 October 2023 (16:50:31 CEST)
ARTICLE
|
doi:10.20944/preprints202011.0687.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
FMSTM; functional movement screen; pubescence; maturation; fundamental movement patterns; functional movement; gender difference
Online: 27 November 2020 (12:46:43 CET)
ARTICLE
|
doi:10.20944/preprints202309.1706.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
isoxazolidine derivatives; 1,3-dipolar cycloaddition; α-aryl-N-methyl nitrones; Density Functional Theory (DFT); Electron Localization Function (ELF); CDFT indices; docking; molecular dynamics; EGFR; binding energy
Online: 26 September 2023 (04:37:56 CEST)
ARTICLE
|
doi:10.20944/preprints202311.1086.v2
Subject:
Medicine And Pharmacology,
Orthopedics And Sports Medicine
Keywords:
Kinesiophobia; TKA; pain; functional recovery
Online: 15 February 2024 (12:19:17 CET)
ARTICLE
|
doi:10.20944/preprints202306.1891.v1
Subject:
Biology And Life Sciences,
Food Science And Technology
Keywords:
Aloe Vera; Milkshakes; Functional Foods
Online: 28 June 2023 (02:22:30 CEST)