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DATASET

Model files, simulation process, setting and data

dataset posted on 2025-01-18

Weiwei TianWeiwei Tian

DATASET

FantaQMCcopperCO2024

dataset posted on 2025-01-17

DATASET

Reaction SMILES CRD 1.37M dataset

dataset posted on 2025-01-17

Rik van der LingenRik van der Lingen

S3.docx

journal contribution posted on 2025-01-17

Shailendra Kumar SinghShailendra Kumar Singh

DATASET

Dataset for "Simple surface treatment of conjugated polymers for enhanced cell adhesion using UV-Ozone"

dataset posted on 2025-01-17 in University College London

Bob SchroederBob Schroeder

DATASET

Kiwifruit NIR

dataset posted on 2025-01-17

Mark WohlersMark Wohlers

DATASET

Supplementary materials for 'Systematic review of evidence for the impact and effectiveness of the 1-3-7 strategy for malaria elimination'

dataset posted on 2025-01-16 in The Open University

QMOF Database

dataset posted on 2025-01-16

Andrew RosenAndrew Rosen

Preprint: Expedient Synthesis of O-Glycosylated amino acids

report posted on 2025-01-16 in Newcastle University

DATASET

Foldclass databases for protein structural domains in CATH and TED

dataset posted on 2025-01-16 in University College London

SOFTWARE

Python Script for: "NO_X Reduction Mechanism: Thermal vs Electrochemical step"

software posted on 2025-01-16 in Technical University of Denmark

Figures for <i>Implicit Time-Marching for Lagrange </i><i>Multiplier Formulation for Couple Stress </i><i>Elastodynamics</i>

Figures for Implicit Time-Marching for Lagrange Multiplier Formulation for Couple Stress Elastodynamics

figure posted on 2025-01-15

Simulation data for "Unveiling the Face-Dependent Ice Growth Kinetics: Insights from Molecular Dynamics on Basal and Prism Surfaces"

dataset posted on 2025-01-15 in King's College London

DATASET

Dataset for ''Spin-mediated promotion of Co catalysts for ammonia synthesis''

dataset posted on 2025-01-15 in Technical University of Denmark

Permanent

FILES UNDER EMBARGO

A Fully Conjugated Meso-Boron-Substituted Porphyrinoid Combining Lewis Acidity with Redox-Switchable Aromaticity

journal contribution posted on 2025-01-15

DATASET

PDBBind-Opt Dataset

dataset posted on 2025-01-15

DATASET

Matbench Discovery - Data Files

dataset posted on 2025-01-14

Janosh RiebesellJanosh Riebesell

SOFTWARE

FCS and wsp files from PBMC flow experiment

software posted on 2025-01-14

Santiago Acero BedoyaSantiago Acero Bedoya

DATASET

Data set for "Structural diversity in de novo cyclic peptide ligands from genetically encoded library technologies"

dataset posted on 2025-01-14 in Newcastle University

Figure source data of Molecular elucidation of cement hydration inhibition by silane coupling agents

figure posted on 2025-01-14

DATASET

Data set underpinning article titled "Geometric Orthogonality as a Recipe for Efficient Single-Molecule Charge Generation in Core Substituted NDI Derivatives"

dataset posted on 2025-01-14 in University College London

Bob SchroederBob Schroeder

DATASET

SI Data for deposition.7z

dataset posted on 2025-01-14

MODEL

Dataset for "Predicting Electrocatalytic Urea Synthesis Using a Two-dimensional Descriptor"

model posted on 2025-01-14 in Technical University of Denmark

The influence of tantalum oxide nanoparticle on thermal conductivity and tear strength after addition on maxillofacial silicone

dataset posted on 2025-01-14

saif hablalmateensaif hablalmateen

DATASET

DFT data for figures

dataset posted on 2025-01-14

Jianting DongJianting Dong

DATASET

Source Data Files

dataset posted on 2025-01-14

yating Zhangyating Zhang

DATASET

all_calculations_complete.zip

dataset posted on 2025-01-14

Congqing YangCongqing Yang

<i>C. elegans </i>bacteria colonization data set. Wild type (N2) worms colonized with GFP-labeled E. coli OP50 vs. mScarlet-labeled P. aeruginosa PA14

C. elegans bacteria colonization data set. Wild type (N2) worms colonized with GFP-labeled E. coli OP50 vs. mScarlet-labeled P. aeruginosa PA14

dataset posted on 2025-01-13 in University of Arizona

George L SutphinGeorge L Sutphin

DATASET

Code and Source Data for "Decoding Phase Separation of Prion-Like Domains through Data-Driven Scaling Laws"

dataset posted on 2025-01-13

DATASET

Supporting Data: Photoluminescence of a Uranium(IV) Alkoxide Complex

dataset posted on 2025-01-13

3months

12days

FILES UNDER EMBARGO

Data for paper "Plasmon-Enhanced Fluorescence of Polyvinylpyrrolidone-Embedded CdSeS/ZnS Quantum Dots on Gold Film over Nanospheres"

dataset posted on 2025-01-13

Origin of Nanoscale Friction Contrast between Supported Graphene, MoS2, and a Graphene/MoS2 Heterostructure

preprint posted on 2025-01-13

Gold(i) sulfide: Unusual bonding and an unexpected computational challenge in a simple solid

journal contribution posted on 2025-01-13

$Powder-diffraction-based structural comparison for crystal structure prediction without prior indexing$

Powder-diffraction-based structural comparison for crystal structure prediction without prior indexing

preprint posted on 2025-01-13

Alberto Otero de la RozaAlberto Otero de la Roza

XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy

preprint posted on 2025-01-13

Finding critical points and reconstruction of electron densities on grids

preprint posted on 2025-01-13

Alberto Otero de la RozaAlberto Otero de la Roza

Asymptotic Pairwise Dispersion Corrections Can Describe Layered Materials Accurately

preprint posted on 2025-01-13

DATASET

Source Data File NatureComm_2025

dataset posted on 2025-01-13

yating Zhangyating Zhang

Improved basis-set incompleteness potentials for accurate density-functional theory calculations in large systems

preprint posted on 2025-01-13

Source Data File NatureComm_2025

dataset posted on 2025-01-13

yating Zhangyating Zhang

Chemical sciences

Model files, simulation process, setting and data

FantaQMCcopperCO2024

Reaction SMILES CRD 1.37M dataset

S3.docx

Dataset for "Simple surface treatment of conjugated polymers for enhanced cell adhesion using UV-Ozone"

Kiwifruit NIR

Supplementary materials for 'Systematic review of evidence for the impact and effectiveness of the 1-3-7 strategy for malaria elimination'

QMOF Database

Preprint: Expedient Synthesis of O-Glycosylated amino acids

Foldclass databases for protein structural domains in CATH and TED

Python Script for: "NOX Reduction Mechanism: Thermal vs Electrochemical step"

Figures for Implicit Time-Marching for Lagrange Multiplier Formulation for Couple Stress Elastodynamics

Simulation data for "Unveiling the Face-Dependent Ice Growth Kinetics: Insights from Molecular Dynamics on Basal and Prism Surfaces"

Dataset for ''Spin-mediated promotion of Co catalysts for ammonia synthesis''

A Fully Conjugated Meso-Boron-Substituted Porphyrinoid Combining Lewis Acidity with Redox-Switchable Aromaticity

PDBBind-Opt Dataset

Matbench Discovery - Data Files

FCS and wsp files from PBMC flow experiment

Data set for "Structural diversity in de novo cyclic peptide ligands from genetically encoded library technologies"

Figure source data of Molecular elucidation of cement hydration inhibition by silane coupling agents

Data set underpinning article titled "Geometric Orthogonality as a Recipe for Efficient Single-Molecule Charge Generation in Core Substituted NDI Derivatives"

SI Data for deposition.7z

Dataset for "Predicting Electrocatalytic Urea Synthesis Using a Two-dimensional Descriptor"

The influence of tantalum oxide nanoparticle on thermal conductivity and tear strength after addition on maxillofacial silicone

DFT data for figures

Source Data Files

all_calculations_complete.zip

C. elegans bacteria colonization data set. Wild type (N2) worms colonized with GFP-labeled E. coli OP50 vs. mScarlet-labeled P. aeruginosa PA14

Code and Source Data for "Decoding Phase Separation of Prion-Like Domains through Data-Driven Scaling Laws"

Supporting Data: Photoluminescence of a Uranium(IV) Alkoxide Complex

Data for paper "Plasmon-Enhanced Fluorescence of Polyvinylpyrrolidone-Embedded CdSeS/ZnS Quantum Dots on Gold Film over Nanospheres"

Origin of Nanoscale Friction Contrast between Supported Graphene, MoS2, and a Graphene/MoS2 Heterostructure

Gold(i) sulfide: Unusual bonding and an unexpected computational challenge in a simple solid

Powder-diffraction-based structural comparison for crystal structure prediction without prior indexing

XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy

Finding critical points and reconstruction of electron densities on grids

Asymptotic Pairwise Dispersion Corrections Can Describe Layered Materials Accurately

Source Data File NatureComm_2025

Improved basis-set incompleteness potentials for accurate density-functional theory calculations in large systems

Source Data File NatureComm_2025

Python Script for: "NO_X Reduction Mechanism: Thermal vs Electrochemical step"