E-LIB Suche - Ergebnisse für: Spiekermann, Kevin A.

1

ConfSolv: Prediction of Solute Conformer-Free Energies acro..:

Pattanaik, Lagnajit ; Menon, Angiras ; Settels, Volker...
The Journal of Physical Chemistry B. 127 (2023) 47 - p. 10151-10170 , 2023

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

2

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..

3

Automated reaction kinetics and network exploration (Arkane..:

Dana, Alon Grinberg ; Johnson, Matthew S. ; Allen, Joshua W....
International Journal of Chemical Kinetics. 55 (2023) 6 - p. 300-323 , 2023

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

4

Detailed Reaction Mechanism for 350–400 °C Pyrolysis of an ..:

Payne, A. Mark ; Spiekermann, Kevin A. ; Green, William H.
Energy & Fuels. 36 (2022) 3 - p. 1635-1646 , 2022

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

5

High accuracy barrier heights, enthalpies, and rate coeffic..:

Spiekermann, Kevin ; Pattanaik, Lagnajit ; Green, William H.
Scientific Data. 9 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

6

RMG Database for Chemical Property Prediction:

Johnson, Matthew S. ; Dong, Xiaorui ; Grinberg Dana, Alon...
Journal of Chemical Information and Modeling. 62 (2022) 20 - p. 4906-4915 , 2022

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

7

Fast Predictions of Reaction Barrier Heights: Toward Couple..:

Spiekermann, Kevin A. ; Pattanaik, Lagnajit ; Green, William H.
The Journal of Physical Chemistry A. 126 (2022) 25 - p. 3976-3986 , 2022

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

8

Coating Nanoparticles with Gastric Epithelial Cell Membrane..:

Angsantikul, Pavimol ; Thamphiwatana, Soracha ; Zhang, Qiangzhe...
Advanced Therapeutics. 1 (2018) 2 - p. , 2018

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

9

Biomimetic Nanoemulsions for Oxygen Delivery In Vivo:

Zhuang, Jia ; Ying, Man ; Spiekermann, Kevin...
Advanced Materials. 30 (2018) 49 - p. , 2018

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

10

Erythrocyte membrane-coated nanogel for combinatorial antiv..:

Zhang, Yue ; Zhang, Jianhua ; Chen, Wansong...
Journal of Controlled Release. 263 (2017) - p. 185-191 , 2017

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

11

ConfSolv: Prediction of solute conformer free energies acro..:

Pattanaik, Lagnajit ; Menon, Angiras ; Settels, Volker...
The Journal of Physical Chemistry B. , 2023

Link: https://hdl.handle.net/1..

12

Machine Learning Validation via Rational Dataset Sampling w..:

Burns, Jackson ; Spiekermann, Kevin ; Bhattacharjee, Himaghna..
doi:10.5281/zenodo.7884531. , 2023

Link: https://zenodo.org/recor..

13

Machine Learning Validation via Rational Dataset Sampling w..:

Burns, Jackson ; Spiekermann, Kevin ; Bhattacharjee, Himaghna..
doi:10.5281/zenodo.7884531. , 2023

Link: https://zenodo.org/recor..

14

astartes:

Burns, Jackson ; Spiekermann, Kevin ; Bhattacharjee, Himaghna..
https://github.com/JacksonBurns/astartes/tree/v1.1.2. , 2023

Link: https://zenodo.org/recor..

15

Fast Predictions of Reaction Barrier Heights: Toward Couple..:

Spiekermann, Kevin A ; Pattanaik, Lagnajit ; Green, William H
10.1021/acs.jpca.2c02614. , 2022

Link: https://hdl.handle.net/1..