ARTICLE
|
doi:10.20944/preprints201812.0020.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
coordination compounds; coordination polymers; copper; thiocyanate; crystal Structure; DFT calculations
Online: 3 December 2018 (10:02:16 CET)
ARTICLE
|
doi:10.20944/preprints201806.0423.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
DFT; periodic simulations; amorphous minerals; physico-chemical properties; super-cell
Online: 26 June 2018 (13:10:49 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0418.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
ice XIV; vibrational spectrum; hydrogen bond; CASTEP, first-principles; DFT
Online: 26 June 2018 (12:44:03 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1732.v1
Subject:
Biology And Life Sciences,
Forestry
Keywords:
semantic segmentation; forest restoration; aerial images; deep learning; convolutional neural network; U-Net
Online: 29 February 2024 (12:56:51 CET)
ARTICLE
|
doi:10.20944/preprints202308.2087.v1
Subject:
Computer Science And Mathematics,
Computer Vision And Graphics
Keywords:
Colony-Forming Unit; Deep Learning; Segmentation; U-Net; Encoder-Decoder; Loss Function; Localization
Online: 30 August 2023 (12:06:16 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1719.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
left ventricle segmentation; fully convolutional networks; U-NET; inception modules; medical image segmentation
Online: 24 August 2023 (07:20:53 CEST)
SHORT NOTE
|
doi:10.20944/preprints202302.0406.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
fuel debris; corium; thermal conductivity; molten core; ZrO2; ZrSiO4; (U,Zr)SiO4; UO2
Online: 23 February 2023 (09:40:22 CET)
ARTICLE
|
doi:10.20944/preprints201807.0568.v1
Subject:
Computer Science And Mathematics,
Analysis
Keywords:
conformal field theory; ground states; dual nets; U(1)-current algebra; Virasoro algebra
Online: 30 July 2018 (08:29:10 CEST)
ARTICLE
|
doi:10.20944/preprints202310.0477.v1
Subject:
Physical Sciences,
Other
Keywords:
field electron emission; DFT; Au (100); Fowler-Nordheim; laser field emission
Online: 10 October 2023 (03:20:46 CEST)
ARTICLE
|
doi:10.20944/preprints202207.0310.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
ab-initio; DFT calculations; 2D materials; MoS2; optical properties; platinum; FPMD
Online: 21 July 2022 (03:24:52 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/preprints202204.0064.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
low-Miller-index; High pressure; (101) plane; DFT calculation; LLM-105
Online: 7 April 2022 (14:27:56 CEST)
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
Subject:
Chemistry And Materials Science,
Electrochemistry
Keywords:
titanium dental implant; vitamin D3; bioactive coating; anticorrosion protection; EIS; DFT
Online: 10 September 2019 (11:35:26 CEST)
ARTICLE
|
doi:10.20944/preprints201809.0547.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
ice X; vibrational spectrum; first-principles DFT; Raman scattering; IR absorption
Online: 27 September 2018 (13:25:06 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1795.v1
Subject:
Other,
Chemistry And Materials Science
Keywords:
radionuclides; microplastics (MPs); polyurethane (PU); polylactic acid (PLA); uranium (U-232); americium (Am-241)
Online: 28 April 2024 (07:48:49 CEST)
ARTICLE
|
doi:10.20944/preprints202307.0674.v1
Subject:
Computer Science And Mathematics,
Computer Vision And Graphics
Keywords:
bone metastasis segmentation; Double U-Net; pre-train; negative mining; transfer learning; deep learning
Online: 11 July 2023 (10:18:40 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1893.v1
Subject:
Environmental And Earth Sciences,
Geochemistry And Petrology
Keywords:
syenitic magma sourece; alkali feldpsar syenite; quartz syenite; U-Pb dating; Lu-Hf isotopes
Online: 26 May 2023 (08:34:42 CEST)
ARTICLE
|
doi:10.20944/preprints202108.0469.v2
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
U-shape network; fully convolutional networks; deep learning; macula fovea; ultra-widefield Fundus images
Online: 7 September 2021 (11:51:17 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1821.v1
Subject:
Chemistry And Materials Science,
Electrochemistry
Keywords:
Hydrogen evolution reaction; Titanium nitride; Oxygen defects; TiNO; linear sweep voltammertry; DFT
Online: 29 March 2024 (10:01:45 CET)
REVIEW
|
doi:10.20944/preprints202308.1932.v1
Subject:
Environmental And Earth Sciences,
Environmental Science
Keywords:
single-atom metal; two-dimensional nanomaterials; water splitting; CO2 reduction; catalysis; DFT
Online: 29 August 2023 (08:42:11 CEST)
ARTICLE
|
doi:10.20944/preprints202112.0450.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
polymerization catalysis; machine learning; nanoclusters; DFT; Raman spectrum; IR spectrum; Lewis bases
Online: 28 December 2021 (14:04:10 CET)
ARTICLE
|
doi:10.20944/preprints202107.0222.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
Graphene oxide; Quantum Dots; TD-DFT; Absorption; Quenching effect; Concentration; Optical Response
Online: 9 July 2021 (13:22:41 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0110.v2
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Pb(II)-BHA; lead chemistry; metal-organic collectors; DFT calculation; surface activation
Online: 25 July 2018 (05:29:34 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1189.v1
Subject:
Environmental And Earth Sciences,
Geophysics And Geology
Keywords:
In-situ testing; Double U-pipe ground heat exchanger; Heat transfer model; Shallow geothermal energy
Online: 18 April 2024 (11:06:32 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1833.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
U-Net; Deep learning; Transfer learning; ECA-Net; Computer vision; GI tract; Segmentation; Radiation therapy
Online: 29 March 2024 (13:51:41 CET)
REVIEW
|
doi:10.20944/preprints202310.1124.v1
Subject:
Physical Sciences,
Particle And Field Physics
Keywords:
SU(3) and U(1) gauge symmetries; gauge invariance; DVCS; contour gauge; geometry of gluons
Online: 18 October 2023 (10:07:44 CEST)
ARTICLE
|
doi:10.20944/preprints202309.0085.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
deep learning; semantic segmentation; U‐Net; actinic keratosis; cutaneous cancerization field; skin lesions; clinical photography
Online: 4 September 2023 (04:23:19 CEST)
ARTICLE
|
doi:10.20944/preprints202202.0301.v1
Subject:
Biology And Life Sciences,
Ecology, Evolution, Behavior And Systematics
Keywords:
deep learning; U-Net; semantic segmentation; schistosomiasis; aquatic vegetation; Neglected Tropical Diseases; Senegal River Basin
Online: 24 February 2022 (07:38:13 CET)
ARTICLE
Subject:
Environmental And Earth Sciences,
Geochemistry And Petrology
Keywords:
Eclogite xenolith; kimberlite; zircon; U-Pb age; Hf isotopes; Ukrainian Shield; Devonian; East European Platform.
Online: 5 October 2021 (15:43:55 CEST)
TECHNICAL NOTE
|
doi:10.20944/preprints201906.0136.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
Active reflection coefficients; realised gain; multi-port antennas; U-slotted microstrip patch; quadrifilar helical antennas
Online: 14 June 2019 (15:07:34 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1966.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Drug discovery; computational chemistry; conceptual DFT; marine cyclopeptides; chemical reactivity properties; bioavailability scores
Online: 29 August 2023 (09:36:49 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0329.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Mixed-Ligands; DFT Calculations; HOMO; LUMO; Antimicrobial; Antioxidant Assays; and Molecular Docking Analysis
Online: 19 December 2022 (07:43:08 CET)
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/preprints202111.0568.v2
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Graptopetalum paraguayense E. Walter; anti-HSV activities; hydroxybenzoic (phenolic) acids; molecular docking; DFT.
Online: 15 December 2021 (10:58:46 CET)
ARTICLE
|
doi:10.20944/preprints202106.0498.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
azobenzene; transition density matrix; exciton; charge transfer; excited states; TD-DFT; ADC(2)
Online: 21 June 2021 (10:20:13 CEST)
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/preprints202007.0742.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
KID protocol; Global Reactivity; Conceptual DFT; Kopmans’ Theorem; Mo–oxo Complexes; Hydrogen production
Online: 31 July 2020 (10:09:50 CEST)
ARTICLE
|
doi:10.20944/preprints201701.0029.v2
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
electron transfer; Marcus equation; enzymatic fuel cell; hydrogen oxidation; electrode adsorption; DFT; bioelectrochemistry
Online: 9 January 2017 (02:49:00 CET)
ARTICLE
|
doi:10.20944/preprints202309.1720.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Transformer; Hyper-Parameter Selection; Planning Target Volume; Auto-segmentation; Prostate Cancer; VT U-Net v.2
Online: 26 September 2023 (07:05:42 CEST)
ARTICLE
|
doi:10.20944/preprints202309.1383.v1
Subject:
Environmental And Earth Sciences,
Geochemistry And Petrology
Keywords:
Permian granitoids; Zircon U-Pb Geochronology; Geochemistry; Tectonic evolution; Northern Margin of the North China Craton
Online: 21 September 2023 (03:15:09 CEST)
ARTICLE
|
doi:10.20944/preprints202008.0314.v2
Subject:
Environmental And Earth Sciences,
Geochemistry And Petrology
Keywords:
northeast Tibet; Proto-Tethyan Ocean; early Silurian; eastern Kunlun Orogenic Belt; gabbro; zircon U–Pb dating
Online: 31 August 2020 (09:57:20 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0344.v1
Subject:
Environmental And Earth Sciences,
Geochemistry And Petrology
Keywords:
hetaoergai pluton; Yagan Belt; I-type granites; geochemistry; zircon U–Pb dating; Sr–Nd–Hf isotopes
Online: 22 June 2018 (05:04:29 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0395.v1
Subject:
Environmental And Earth Sciences,
Water Science And Technology
Keywords:
Grafted hydrogel; Ground water; Ammonia and Iron removal efficiency; DFT and MEP; binding Energy
Online: 4 August 2023 (11:32:16 CEST)
COMMUNICATION
|
doi:10.20944/preprints202306.0875.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
planar tetracoordinate carbon; silicon-carbon clusters; global minima; DFT computations; chemical bonding analysis; aromaticity
Online: 13 June 2023 (04:30:10 CEST)
ARTICLE
|
doi:10.20944/preprints202301.0387.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
polyamidation; in situ silylation; poly(p-phenylene terephthalamide (PPTA); Kevlar; NMR; DFT molecular simulation
Online: 23 January 2023 (02:00:35 CET)
ARTICLE
|
doi:10.20944/preprints202202.0317.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
photochromic; diarylethene; bipyridine; high-resolution scanning tunneling microscopy; cooperative switches; molecular orbital; DFT calculations
Online: 24 February 2022 (13:17:29 CET)
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/preprints202008.0690.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Theopapuamides A-D; Virtual Screening; Chemoinformatics; Conceptual DFT; Computational Peptidology; Bioavailability; Bioactivity Scores; ADMET
Online: 31 August 2020 (03:57:38 CEST)
ARTICLE
|
doi:10.20944/preprints202402.0013.v2
Subject:
Computer Science And Mathematics,
Applied Mathematics
Keywords:
The measurement problem; U-R procedures; the Yes/No type measurement; stochastic sampling; sample phase; Born probability
Online: 5 February 2024 (11:00:39 CET)
ARTICLE
|
doi:10.20944/preprints202301.0231.v1
Subject:
Environmental And Earth Sciences,
Geophysics And Geology
Keywords:
NDVI; SAR; change detection; Norway; Sentinel-1; Sentinel-2; deep learning; U-Net; CCDC; Google Earth Engine
Online: 13 January 2023 (02:00:25 CET)
ARTICLE
|
doi:10.20944/preprints202402.1527.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
N2 fixation; Dinitrogen activation; DFT; IR; Raman; Hexametallic clusters; Ruthenium clusters; Osmium clusters; 15N NMR
Online: 27 February 2024 (12:18:31 CET)
ARTICLE
|
doi:10.20944/preprints202309.1759.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
DFT-D3; self-assembly; camphor sulfonimine; X-ray diffraction; redox properties; complexes; non-bonding interactions
Online: 26 September 2023 (11:19:02 CEST)
SHORT NOTE
|
doi:10.20944/preprints202305.1869.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine; polypyridyl donors; SC-XRD; FT-Raman; DFT; ICl
Online: 26 May 2023 (05:44:34 CEST)
ARTICLE
|
doi:10.20944/preprints202305.1726.v1
Subject:
Chemistry And Materials Science,
Electronic, Optical And Magnetic Materials
Keywords:
Cu3-3OH complex; pyrazolato ligands; trinuclear complex; Spin Frustration; magnetic susceptibility; antisymmetric exchange; DFT calculations.
Online: 25 May 2023 (03:37:25 CEST)
ARTICLE
|
doi:10.20944/preprints201904.0014.v1
Subject:
Biology And Life Sciences,
Virology
Keywords:
Alignment; assembly; taxonomic classification; time series; data transformation; DWT; DFT; PAA; data compression; compressive genomics
Online: 1 April 2019 (13:29:58 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0477.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
radicals; exchange coupling; cross-coupling; broken symmetry DFT; EPR spectroscopy; X-ray crystallography; redox chemistry
Online: 28 June 2018 (15:32:47 CEST)
SHORT NOTE
|
doi:10.20944/preprints201703.0158.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
au(I) dithiocarbamate and phosphine complex; Raman spectroscopy; Single crystal X-ray diffraction; DFT calculations
Online: 20 March 2017 (10:00:42 CET)
TECHNICAL NOTE
|
doi:10.20944/preprints202305.2240.v1
Subject:
Environmental And Earth Sciences,
Geophysics And Geology
Keywords:
improved U-Net; seabed sediment classification; sub-bottom profiling; multibeam bathymetry; Northern Slope of the South China Sea
Online: 31 May 2023 (11:52:27 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0158.v2
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
U-Net; Carbon Storage; Above-Ground Biomass; Remote Sensing; Deep Learning; CNN; Sentinel-2; ESA CCI Biomass Project
Online: 15 February 2023 (01:56:34 CET)
ARTICLE
|
doi:10.20944/preprints202310.1193.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Racemic α-lipoic acid; zinc; metallcomplex, in silico, DFT calculation; molecular docking simulation; target proteins; diabetes
Online: 19 October 2023 (08:09:26 CEST)
ARTICLE
|
doi:10.20944/preprints202011.0047.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Photodynamic Therapy; Charge Transfer; Electronically Excited States; Anthraquinone; DNA; Molecular Dynamics; TD-DFT; Transition-Density Analysis
Online: 2 November 2020 (14:15:09 CET)
ARTICLE
|
doi:10.20944/preprints201910.0374.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
conjugated diradicals; DFT; broken symmetry; double exciton state; TDDFT; spin-flip TDDFT; diradical character; NFOD descriptor
Online: 31 October 2019 (15:29:31 CET)
ARTICLE
|
doi:10.20944/preprints202204.0115.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
boron; fullerenes; chemical bond; electronic structure; DFT; localization; bond order; QTAIM; ELF; Hückeloid model; heat of formation
Online: 13 April 2022 (04:30:00 CEST)
ARTICLE
|
doi:10.20944/preprints202112.0296.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
Plasmodium falciparum dihydroorotate dehydrogenase; fragment-based drug design; 2D-QSAR; DFT calculation; Lead optimization; Induced Fit docking
Online: 20 December 2021 (09:39:42 CET)
ARTICLE
|
doi:10.20944/preprints201712.0173.v4
Subject:
Computer Science And Mathematics,
Analysis
Keywords:
Fourier transform; Fourier series; DTFT; DFT; generalized functions; tempered distributions; Schwartz functions; Poisson Summation Formula; discretization; periodization
Online: 21 November 2018 (11:09:28 CET)
ARTICLE
|
doi:10.20944/preprints202211.0025.v1
Subject:
Environmental And Earth Sciences,
Geophysics And Geology
Keywords:
Ordos Basin; red sandstone; detrital zircon U-Pb dating; tectonothermal events; origin analysis; Danxia landform area in northern Shaanxi, China
Online: 1 November 2022 (09:16:04 CET)
ARTICLE
|
doi:10.20944/preprints202107.0503.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Cytotoxicity; Glioblastoma multiform; Lactate dehydrogenase (LDH); Poly D- L-lactic-co-glycolic acid (PLGA); U-87 MG glioma cell lines
Online: 21 July 2021 (16:37:21 CEST)
ARTICLE
|
doi:10.20944/preprints202312.1956.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Photocatalytic CO2 reduction; DFT/TDDFT; Pt(II) pincer complexes; T1 excited state electrochemistry, CO2 fixation/activation by Pt
Online: 28 December 2023 (02:09:16 CET)
ARTICLE
|
doi:10.20944/preprints202307.2130.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
cyclic voltammetry; electron paramagnetic resonance; DFT calculations; UV-VIS/NIR; phenoxyl radical; pincer complex; platinum complex; NHC ligand
Online: 1 August 2023 (03:38:51 CEST)
ARTICLE
|
doi:10.20944/preprints202111.0430.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Ab initio DFT/B3LYP/6-311G/Auto calculation; hydrazine; Hirshfeld surface; hydrogen interactions; single-crystal X-ray study
Online: 23 November 2021 (15:03:30 CET)
ARTICLE
|
doi:10.20944/preprints202008.0351.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
discodermins A-H; chemical reactivity theory; conceptual DFT; global and local reactivity descriptors; pKa; bioavailability; bioactivity scores; ADME
Online: 17 August 2020 (04:45:58 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/preprints202308.0416.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
cocoa farmers; low-cost smart agriculture; remote sensors monitoring; water resources forecasting; YOLO; U-NET; deforestation; drought prevision; socio-technical transition
Online: 4 August 2023 (09:33:20 CEST)
ARTICLE
|
doi:10.20944/preprints201910.0326.v1
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
center of pressure (cop); average entropy (ae); entropy of entropy (eoe); multiscale entropy (mse), inverted u curve; biological disorder; biological complexity
Online: 29 October 2019 (10:01:12 CET)
ARTICLE
|
doi:10.20944/preprints202312.0487.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
heterocyclization; Michael addition; dithiomalondiamides; dithiolo[3,4-b]pyridines; DFT calculations; reaction mechanism studies; herbicide safeners; molecular docking; ADMET properties.
Online: 7 December 2023 (07:07:11 CET)
ARTICLE
|
doi:10.20944/preprints202311.0429.v1
Subject:
Engineering,
Civil Engineering
Keywords:
unreinforced masonry; seismic retrofit; energy efficiency; timber panels; timber strong-backs; thermal transmittance u-value; periodic thermal properties; transient method; response factors
Online: 7 November 2023 (09:32:52 CET)
ARTICLE
|
doi:10.20944/preprints202310.0114.v1
Subject:
Computer Science And Mathematics,
Computer Science
Keywords:
Finite element methods (FEM); cardiovascular disease; convolutional neural network (CNN); U-Net; conditional generative adversarial neural network (cGAN); stress-strain field maps
Online: 3 October 2023 (04:57:59 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0614.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Am-241 and U-232; dendritic polymers; silica xerogels; composites; dendrimers; water purification; radioactive wastewater; radionuclide removal; thermodynamic; environmental remediation; water decontamination
Online: 9 August 2023 (07:25:25 CEST)
ARTICLE
|
doi:10.20944/preprints201812.0173.v2
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
2-(Adamantan-1-yl)-2H-isoindole-1-carbonitrile; X-ray diffraction; DFT; molecular orbital calculations; fluorescence; docking; nNOS; fluorescent ligand
Online: 14 December 2018 (11:41:20 CET)
REVIEW
|
doi:10.20944/preprints202201.0316.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
elongation factor Tu; evolution of the genetic code; four-way wobbling; genetic code degeneracy; inosine; mitochondria; queuosine; superwobbling; tRNA modification; tRNA wobble U modification
Online: 21 January 2022 (08:53:37 CET)
ARTICLE
|
doi:10.20944/preprints202211.0243.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
deep neural network (DNN); synthetic aperture radar automatic target recognition (SAR-ATR); universal adversarial perturbation (UAP); U-Net; attention heatmap; layer-wise relevance propagation (LRP)
Online: 14 November 2022 (06:37:35 CET)
SHORT NOTE
|
doi:10.20944/preprints202309.0671.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Green strategy; One-pot reaction; isoxazoline sulfonate; Ultrasound cavitation; X-ray single-crystal structure analysis; Hydrogen bond; Hirshfeld surface analysis; DFT calculation.
Online: 11 September 2023 (09:58:23 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0990.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Copper(II); thiodiacetate chelate; synthetic adenine nucleoside; molecular and crystal structure; chelate-nucleoside recognition; water-mediated interligand interactions, physical properties; DFT calculations.
Online: 14 June 2023 (05:32:53 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/preprints201809.0532.v1
Subject:
Chemistry And Materials Science,
Electrochemistry
Keywords:
metal doping; nickel-based catalyst; transition metals; synthesis; hydrogen oxidation reaction; exchange current density; alkaline medium; DFT; hydrogen binding energy; hydroxide binding energy
Online: 27 September 2018 (04:59:46 CEST)
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/preprints202012.0803.v1
Subject:
Social Sciences,
Education
Keywords:
educational concept; green business school; new green deal; interdisciplinary capacity and movement building; green failure; young generation collaboration network; prevent big ideas from failure, theory U, science and action-based research, design thinking
Online: 31 December 2020 (12:44:11 CET)