E-LIB Suche - Ergebnisse für: Green, William H

1

ReactionMechanismSimulator.jl: A modern approach to chemica..:

Johnson, Matthew S. ; Pang, Hao‐Wei ; Payne, Allen Mark.
International Journal of Chemical Kinetics. , 2024

Link: https://doi.org/10.1002/..

2

Machine learning from quantum chemistry to predict experime..:

Chung, Yunsie ; Green, William H.
Chemical Science. 15 (2024) 7 - p. 2410-2424 , 2024

Link: https://doi.org/10.1039/..

3

A machine learning based approach to reaction rate estimati..:

Johnson, Matthew S. ; Green, William H.
Reaction Chemistry & Engineering. 9 (2024) 6 - p. 1364-1380 , 2024

Link: https://doi.org/10.1039/..

4

Oxygen Chemistry in Polymer Fouling: Insights from Multipha..:

Pang, Hao-Wei ; Dong, Xiaorui ; Green, William H.
Industrial & Engineering Chemistry Research. 63 (2024) 2 - p. 1013-1028 , 2024

Link: https://doi.org/10.1021/..

5

Toward Accurate Quantum Mechanical Thermochemistry: (1) Ext..:

Wu, Haoyang ; Payne, A. Mark ; Pang, Hao-Wei...
The Journal of Physical Chemistry A. 128 (2024) 21 - p. 4335-4352 , 2024

Link: https://doi.org/10.1021/..

6

Subgraph Isomorphic Decision Tree to Predict Radical Thermo..:

Pang, Hao-Wei ; Dong, Xiaorui ; Johnson, Matthew S..
The Journal of Physical Chemistry A. 128 (2024) 14 - p. 2891-2907 , 2024

Link: https://doi.org/10.1021/..

7

Realistic U.S. Long-Haul Drive Cycle for Vehicle Simulation..:

Jones, Rob ; Köllner, Moritz ; Moreno-Sader, Kariana...
Transportation Research Record: Journal of the Transportation Research Board. , 2024

Link: https://doi.org/10.1177/..

8

Perspective on automated predictive kinetics using estimate..:

Green, William H.
International Journal of Chemical Kinetics. , 2024

Link: https://doi.org/10.1002/..

9

EnzymeMap: curation, validation and data-driven prediction ..:

Heid, Esther ; Probst, Daniel ; Green, William H..
Chemical Science. 14 (2023) 48 - p. 14229-14242 , 2023

Link: https://doi.org/10.1039/..

10

Computing Kinetic Solvent Effects and Liquid Phase Rate Con..:

Chung, Yunsie ; Green, William H.
The Journal of Physical Chemistry A. 127 (2023) 27 - p. 5637-5651 , 2023

Link: https://doi.org/10.1021/..

11

Perspective on Decarbonizing Long-Haul Trucks Using Onboard..:

Biswas, Sayandeep ; Moreno Sader, Kariana ; Green, William H.
Energy & Fuels. 37 (2023) 22 - p. 17003-17012 , 2023

Link: https://doi.org/10.1021/..

12

Machine Learning Validation via Rational DatasetSampling wi..:

Burns, Jackson W. ; Spiekermann, Kevin A. ; Bhattacharjee, Himaghna..
Journal of Open Source Software. 8 (2023) 91 - p. 5996 , 2023

Link: https://doi.org/10.21105..

13

A wide range experimental and kinetic modeling study of the..:

Liang, Jinhu ; He, Ruining ; Nagaraja, Shashank S....
Combustion and Flame. 251 (2023) - p. 112731 , 2023

Link: https://doi.org/10.1016/..

14

Predicting Critical Properties and Acentric Factors of Flui..:

Biswas, Sayandeep ; Chung, Yunsie ; Ramirez, Josephine..
Journal of Chemical Information and Modeling. 63 (2023) 15 - p. 4574-4588 , 2023

Link: https://doi.org/10.1021/..

15

A workflow for automatic generation and efficient refinemen..:

Johnson, Matthew S. ; Grinberg Dana, Alon ; Green, William H.
Combustion and Flame. 257 (2023) - p. 112516 , 2023

Link: https://doi.org/10.1016/..