Search Results
31930 articles found
ARTICLE
|
doi:10.20944/preprints202007.0433.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
DFT calculations; unfolding band structure; optical spectrum; KCl
Online: 19 July 2020 (20:22:08 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/preprints202107.0215.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
DFT; HOMO; LUMO; MEP; FMO; RDG; ADMET
Online: 9 July 2021 (10:22:59 CEST)
ARTICLE
|
doi:10.20944/preprints201701.0063.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
HfB4; structure prediction; superhard material; anisotropic properties
Online: 12 January 2017 (10:57:03 CET)
ARTICLE
|
doi:10.20944/preprints202311.1133.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
glutathione; tripeptides; ultrasonic relaxation spectroscopy; molecular docking; self-association; proton-transfer
Online: 17 November 2023 (04:32:02 CET)
ARTICLE
|
doi:10.20944/preprints202307.1282.v2
Subject:
Physical Sciences,
Applied Physics
Keywords:
Delafossite; powder; films; spray pyrolysis; EIS; conductivity; relaxation time
Online: 20 July 2023 (08:33:02 CEST)
ARTICLE
|
doi:10.20944/preprints202309.0204.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
copper (I); triazine, phosphine, crystal structure, theoretical calculations, co-sensitized.
Online: 4 September 2023 (14:59:22 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1019.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
1,2,3-triazoles; anti-cancer drugs; vibrational analysis; scaling; dimer calculation
Online: 14 August 2023 (10:36:19 CEST)
ARTICLE
|
doi:10.20944/preprints202307.1662.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
1D 1H NOE; 1H chemical shift; ALA; EPA; DHA; DFT
Online: 25 July 2023 (07:33:59 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/preprints202308.0975.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Diaminopurine; Molecular recognition; supramolecular chemistry; Cu-chemistry; DFT calculations
Online: 14 August 2023 (04:17:50 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/preprints202304.0845.v1
Subject:
Computer Science And Mathematics,
Computational Mathematics
Keywords:
Aluminophosphates; vertex based molecular descriptors; cut method; Shannon's method; correlation coefficient.
Online: 24 April 2023 (09:48:23 CEST)
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)
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)
ARTICLE
|
doi:10.20944/preprints202309.0007.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Talaloride A; Talaropeptides A-D; DFT; Conceptual DFT; KID; Cheminformatics; Pharmacokinetics
Online: 1 September 2023 (12:00:13 CEST)
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/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/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/preprints202406.0160.v1
Subject:
Materials Science And Technology,
Chemistry And Materials Science
Keywords:
GO; Gaussian; pH; temperature; interfering ions
Online: 4 June 2024 (10:58:51 CEST)
ARTICLE
|
doi:10.20944/preprints202311.0469.v1
Subject:
Engineering,
Civil Engineering
Keywords:
Concrete; Beam Section; Machine Learning; Nural Network; Fuzzy Logic; ANFIS; ACI
Online: 7 November 2023 (13:23:18 CET)
ARTICLE
|
doi:10.20944/preprints201910.0284.v1
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
raindrop shapes; asymmetric rain drops; scattering calculations; polarimetric radar; 2D-video distrometer
Online: 25 October 2019 (04:22:52 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1711.v1
Subject:
Inorganic And Nuclear Chemistry,
Chemistry And Materials Science
Keywords:
conformations; matrix-FTIR; gas-phase FTIR; Raman; DFT
Online: 26 April 2024 (07:43:27 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)
CONCEPT PAPER
|
doi:10.20944/preprints202203.0129.v2
Subject:
Computer Science And Mathematics,
Computational Mathematics
Keywords:
Discrete Fourier Transform; Fourier Transform; Twiddle factor
Online: 11 March 2022 (11:03:46 CET)
ARTICLE
|
doi:10.20944/preprints202306.0967.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Lumefantrine; Anti-malarial activity; Spectral analysis; HOMO-LUMO; Molecular structure
Online: 14 June 2023 (03:28:53 CEST)
ARTICLE
|
doi:10.20944/preprints202302.0270.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
PTB7-Th; donor polymer; lowest energy structure; alkane side chains; density func-tional theory; dispersion correction; long-range correction
Online: 16 February 2023 (04:43:46 CET)
ARTICLE
|
doi:10.20944/preprints202108.0546.v1
Online: 30 August 2021 (14:05:35 CEST)
ARTICLE
|
doi:10.20944/preprints202103.0650.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
palladium; palladium alloys; generalized stacking fault energy; twinnability; stacking fault energy; ab initio calculations
Online: 25 March 2021 (17:19:22 CET)
ARTICLE
|
doi:10.20944/preprints201803.0056.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
atomic structure; hartree fock; exchange; line broadening; scattering
Online: 8 March 2018 (02:10:55 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/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/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)
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)
DATA DESCRIPTOR
|
doi:10.20944/preprints202202.0305.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Physicochemical properties; Gastrointestinal absorption; Lipinski's rules; Veber's rules; Ghose's rules; Muegge's rules
Online: 24 February 2022 (08:35:30 CET)
ARTICLE
|
doi:10.20944/preprints201811.0427.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
organic photovoltaics; charge transport; semi-empirical; kinetic Monte Carlo
Online: 19 November 2018 (07:09:55 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/preprints202404.1924.v1
Subject:
Electronic, Optical And Magnetic Materials,
Chemistry And Materials Science
Keywords:
n-type diamond; donor impurity; phosphorus; cluster formation model
Online: 30 April 2024 (11:37:43 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0908.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
azapeptide; foldamer; conformers; hydrogen bond; nbo
Online: 13 June 2023 (08:56:45 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)
ARTICLE
|
doi:10.20944/preprints202306.0429.v1
Online: 6 June 2023 (09:43:32 CEST)
ARTICLE
|
doi:10.20944/preprints202211.0409.v1
Subject:
Physical Sciences,
Condensed Matter Physics
Keywords:
Phonon dispersion; PDOS; Mechanical properties; Power factor and Figure of Merit
Online: 22 November 2022 (07:12:14 CET)
ARTICLE
|
doi:10.20944/preprints201911.0103.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
cross sections; molecular beam scattering; charge trasfer; coupled cluster; excited states; ionization potential; electron affinity; interaction potential; stereoselectivity
Online: 10 November 2019 (09:53:18 CET)
ARTICLE
|
doi:10.20944/preprints202402.0655.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
hydrogen; embrittlement; niobium carbide; titanium carbide; vanadium carbide; manganese sulfide
Online: 12 February 2024 (10:26:15 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/preprints202310.1075.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
universal equations for Wh and Wm characteristics; hydraulic transients calculation; radial hydraulic machinery; influence of the specific speed; method of characteristics
Online: 18 October 2023 (08:14:42 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0225.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
OLED; charge mobility; DFT; hopping transport; transfer integrals; reorganization energy
Online: 13 December 2022 (03:25:26 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/preprints202112.0109.v2
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
photoinduced electron transfer; triplet state formation; charge recombination; charge separation; intersystem crossing; SOCT-ISC; SOCME; electronic coupling
Online: 16 December 2021 (14:21:43 CET)
ARTICLE
|
doi:10.20944/preprints202403.1682.v1
Subject:
Physical Sciences,
Nuclear And High Energy Physics
Keywords:
reduced order model; perturbation theory; depletion; burn-up analysis; reactor physics; adjoint methods
Online: 27 March 2024 (14:12:14 CET)
ARTICLE
Subject:
Engineering,
Energy And Fuel Technology
Keywords:
Transport Corrected SP3; Nodal Expansion Method; Generalized Equivalence Theory; Discontinuity Factors
Online: 3 September 2021 (08:12:14 CEST)
ARTICLE
|
doi:10.20944/preprints202309.0803.v1
Subject:
Chemistry And Materials Science,
Organic Chemistry
Keywords:
Marine natural product; Sinularia nanolobata; Structure elucidation; Cytotoxicity
Online: 13 September 2023 (02:54:28 CEST)
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)
ARTICLE
|
doi:10.20944/preprints202306.0912.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
FePr monolayer; SF6 decomposition gases; First-principles calculations; Sensing mechanism
Online: 13 June 2023 (09:25:01 CEST)
REVIEW
|
doi:10.20944/preprints202012.0555.v2
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
Mepivacaine; Scandonest; local anaesthesia; pharmacology; maximum safe dose; podiatry
Online: 19 January 2021 (10:39:01 CET)
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/preprints202312.0833.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
Quasiclassical trajectory (QCT) method; state-resolved rate constants; hydrogen; atom-molecule collisions; dissociation; vibrational energy relaxation
Online: 13 December 2023 (06:16:12 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/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)
ARTICLE
|
doi:10.20944/preprints201902.0021.v2
Subject:
Physical Sciences,
Particle And Field Physics
Keywords:
quark; linear interactive potential; mass of a proton; spin; quark confinement; pi-meson
Online: 22 August 2022 (15:50:41 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/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)
ARTICLE
|
doi:10.20944/preprints201901.0033.v1
Subject:
Chemistry And Materials Science,
Metals, Alloys And Metallurgy
Keywords:
W-O alloy, interstitial solid solution, screw dislocations, solute diffusion, stress coupling
Online: 4 January 2019 (08:42:36 CET)
ARTICLE
|
doi:10.20944/preprints201804.0364.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
palladium; catalysts; hydrogenation; kinetics; DFT
Online: 27 April 2018 (16:18:05 CEST)
ARTICLE
|
doi:10.20944/preprints202311.0114.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
Raman; Ultrasonic relaxation spectroscopy; Molecular orbital calculations; Hexamethylenetetramine; Aggregation mechanism
Online: 2 November 2023 (08:17:34 CET)
ARTICLE
|
doi:10.20944/preprints201809.0238.v1
Subject:
Engineering,
Automotive Engineering
Keywords:
Automation; chromatography; thin film; identification; segmentation; standard deviation; entropy; average intensity; algorithm; matlab.
Online: 13 September 2018 (12:06:44 CEST)
ARTICLE
|
doi:10.20944/preprints202308.0117.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
reaction mechanism, solvent, antioxidant, metal influence
Online: 2 August 2023 (08:16:52 CEST)
ARTICLE
|
doi:10.20944/preprints202109.0331.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
Adsorption; DFT; Cadmium(II) ion; Activated carbon; Kinetics; Thermodynamics
Online: 20 September 2021 (12:22:22 CEST)
ARTICLE
|
doi:10.20944/preprints201803.0116.v1
Subject:
Chemistry And Materials Science,
Chemical Engineering
Keywords:
oxazole-triazole; inhibition corrosion; mild steel; EIS; DFT
Online: 15 March 2018 (05:10:29 CET)
ARTICLE
|
doi:10.20944/preprints202307.1515.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Porphyrin; Copper; Photophysics; DFT; TD-DFT; Luminescence; Transient Absorption; Femptosecond
Online: 24 July 2023 (10:30:49 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0032.v1
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
BACE1; Alzheimer's disease; molecular dynamics simulations, SIE; MM-GBSA
Online: 1 June 2023 (04:57:06 CEST)
ARTICLE
|
doi:10.20944/preprints202010.0260.v1
Subject:
Engineering,
Automotive Engineering
Keywords:
AISI 1045; Co-simulation; High-Frequency Induction Heat Treatment; Metal Phase Transformation; RLC Circuit
Online: 13 October 2020 (07:13:08 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/preprints202201.0095.v2
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
antioxidant activity; eearomatization; frontier molecular orbital; fukui function f0; DFT
Online: 3 February 2022 (15:19:51 CET)
ARTICLE
|
doi:10.20944/preprints202011.0182.v1
Subject:
Physical Sciences,
Acoustics
Keywords:
Spent Nuclear Fuel; Nuclear Fuel Cycle; Spent Fuel Storage; Spent Fuel Reprocessing; Modelling; Decay Heat; Isotopic Composition; Elemental Composition; Statistical Analysis; First Principles
Online: 4 November 2020 (09:57:42 CET)
ARTICLE
|
doi:10.20944/preprints201907.0126.v1
Subject:
Physical Sciences,
Applied Physics
Keywords:
electron molecular scattering; R-matrix; expert system; Molpro
Online: 9 July 2019 (04:04:15 CEST)
ARTICLE
|
doi:10.20944/preprints202306.0931.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
biphenol ligands; transition metal complexes; crystal structure; Hirshfeld surfaces; energy frameworks; crystallization solvent
Online: 13 June 2023 (11:02:25 CEST)
ARTICLE
|
doi:10.20944/preprints202104.0768.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
ab initio calculations; quantum theory of atoms-in-molecules (QTAIM); bromide; structures
Online: 29 April 2021 (08:22:58 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/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/preprints202010.0442.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
relativistic multireference coupled cluster method; heavy element compounds; transition properties
Online: 21 October 2020 (14:24:58 CEST)
ARTICLE
|
doi:10.20944/preprints202110.0186.v1
Subject:
Chemistry And Materials Science,
Applied Chemistry
Keywords:
Adsorption; DFT; Starch-based Activated Carbon; Kinetics; Thermodynamics
Online: 12 October 2021 (14:58:07 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/preprints202305.0548.v1
Online: 8 May 2023 (15:15:13 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1023.v1
Subject:
Environmental And Earth Sciences,
Environmental Science
Keywords:
Djerdap; Danube; spatial plan; protected area; cultural heritage; multilevel approach
Online: 16 April 2024 (10:27:34 CEST)
ARTICLE
|
doi:10.20944/preprints202311.0943.v1
Subject:
Environmental And Earth Sciences,
Other
Keywords:
salinity modeling; groundwater transport modeling; hydrogeology; aquifers system; Ca Mau; Kien Giang; Soc Trang; Hau Giang; Bac Lieu
Online: 14 November 2023 (15:11:46 CET)
ARTICLE
|
doi:10.20944/preprints202404.0276.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
methylation analysis; reductive hydrolysis; whole food fiber; whole cell wall; anhydro sugar; agarose; carrageenan; sulfated galactan; mixed linkage xylan; principal component analysis
Online: 3 April 2024 (10:33:21 CEST)
BRIEF REPORT
|
doi:10.20944/preprints202402.1644.v2
Subject:
Public Health And Healthcare,
Public, Environmental And Occupational Health
Keywords:
sleep hygiene; sleep behavior; college students; sleep education program
Online: 6 March 2024 (04:49:17 CET)
ARTICLE
|
doi:10.20944/preprints202404.0476.v1
Subject:
Chemistry And Materials Science,
Food Chemistry
Keywords:
Malus domestica; apple cuticle; UHPLC-HRMS/MS; metabolomic fingerprints; classification models; markers; wax esters
Online: 8 April 2024 (03:04:51 CEST)
ARTICLE
|
doi:10.20944/preprints202402.0656.v1
Subject:
Biology And Life Sciences,
Horticulture
Keywords:
Strawberry root rot; Trichoderma asperellum; biocontrol mechanism; biocontrol efficacy; growth-promoting effect
Online: 14 February 2024 (03:51:50 CET)
ARTICLE
|
doi:10.20944/preprints202403.0789.v1
Subject:
Biology And Life Sciences,
Animal Science, Veterinary Science And Zoology
Keywords:
Apis mellifera; Carpoglyphus lactis; Cytochrome c oxidase subunit 1 (COI) gene; Molecular identification; Republic of Korea
Online: 13 March 2024 (16:10:18 CET)
ARTICLE
|
doi:10.20944/preprints201608.0203.v1
Subject:
Biology And Life Sciences,
Insect Science
Keywords:
Sitophilus zeamais; COXⅡ; Soluble proteins; Enzyme activity; AITC
Online: 25 August 2016 (10:11:13 CEST)
ARTICLE
|
doi:10.20944/preprints201610.0008.v3
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
AO; SAO; TO; amplitude; phase
Online: 6 October 2016 (08:52:44 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1328.v1
Subject:
Environmental And Earth Sciences,
Other
Keywords:
Serbia; Stara Planina Mountain; typical rural settlements; conservation; planning; sustainable development
Online: 21 March 2024 (16:21:59 CET)
ARTICLE
|
doi:10.20944/preprints201612.0148.v1
Subject:
Engineering,
Industrial And Manufacturing Engineering
Keywords:
process improvement; ewe’s cheese; systemic design
Online: 30 December 2016 (07:34:54 CET)
ARTICLE
|
doi:10.20944/preprints202012.0775.v1
Subject:
Physical Sciences,
Acoustics
Keywords:
Modified Gravity; Fluid mechanics; Quintessence model; cosmological inflation; Viscosity; Gravitational physics.
Online: 31 December 2020 (09:15:43 CET)
ARTICLE
|
doi:10.20944/preprints202404.0450.v1
Subject:
Business, Economics And Management,
Economics
Keywords:
Environmental regulation; Green total factor productivity; Yangtze River Economic Belt
Online: 8 April 2024 (13:55:03 CEST)
ARTICLE
|
doi:10.20944/preprints202402.1144.v1
Subject:
Biology And Life Sciences,
Aquatic Science
Keywords:
Wetland; Ecosystem services; Genetic diversity; Hilsa; Bangladesh
Online: 20 February 2024 (12:44:47 CET)
ARTICLE
|
doi:10.20944/preprints202404.1148.v1
Subject:
Public Health And Healthcare,
Other
Keywords:
augmented reality; virtual reality; validation; evaluation; image registration
Online: 17 April 2024 (13:28:49 CEST)
ARTICLE
|
doi:10.20944/preprints202404.0830.v1
Subject:
Engineering,
Aerospace Engineering
Keywords:
WENO scheme; turbomachinery flow; NUAA-Turbo; large scale engineering application; LES
Online: 12 April 2024 (08:07:45 CEST)