E-LIB Suche - Ergebnisse für: Keith, John

1

A Co-Doping Materials Design Strategy for Selective Ozone E..:

Alaufey, Rayan ; Keith, John A. ; Tang, Maureen
The Journal of Physical Chemistry Letters. 15 (2024) 28 - p. 7351-7356 , 2024

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

2

Interplay between Catalyst Corrosion and Homogeneous Reacti..:

Alaufey, Rayan ; Zhao, Lingyan ; Lindsay, Andrew...
ACS Catalysis. 14 (2024) 9 - p. 6868-6880 , 2024

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

3

Modeling molecular ensembles with gradient-domain machine l..:

Maldonado, Alex M. ; Poltavsky, Igor ; Vassilev-Galindo, Valentin..
Digital Discovery. 2 (2023) 3 - p. 871-880 , 2023

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

4

Evaluating quantum alchemy of atoms with thermodynamic cycl..:

Eikey, Emily A. ; Maldonado, Alex M. ; Griego, Charles D...
The Journal of Chemical Physics. 156 (2022) 6 - p. , 2022

Link: https://doi.org/10.1063/..

5

Quantum alchemy beyond singlets: Bonding in diatomic molecu..:

Eikey, Emily A. ; Maldonado, Alex M. ; Griego, Charles D...
The Journal of Chemical Physics. 156 (2022) 20 - p. , 2022

Link: https://doi.org/10.1063/..

6

A Bond-Energy/Bond-Order and Populations Relationship:

Zulueta, Barbaro ; Tulyani, Sonia V. ; Westmoreland, Phillip R....
Journal of Chemical Theory and Computation. 18 (2022) 8 - p. 4774-4794 , 2022

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

7

Deeper learning in electrocatalysis: realizing opportunitie..:

Keith, John A ; McKone, James R ; Snyder, Joshua D.
Current Opinion in Chemical Engineering. 36 (2022) - p. 100824 , 2022

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

8

A Tribute to Emily A. Carter:

Zhuang, Houlong ; Keith, John ; Martinez, Todd
The Journal of Physical Chemistry C. 125 (2021) 8 - p. 4331-4332 , 2021

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

9

Quantifying Uncertainties in Solvation Procedures for Model..:

Maldonado, Alex M. ; Hagiwara, Satoshi ; Choi, Tae Hoon...
The Journal of Physical Chemistry A. 125 (2021) 1 - p. 154-164 , 2021

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

10

Computational predictions of metal–macrocycle stability con..:

Gentry, Brian M. ; Choi, Tae Hoon ; Belfield, William S..
Physical Chemistry Chemical Physics. 23 (2021) 15 - p. 9189-9197 , 2021

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

11

Combining Machine Learning and Computational Chemistry for ..:

Keith, John A. ; Vassilev-Galindo, Valentin ; Cheng, Bingqing...
Chemical Reviews. 121 (2021) 16 - p. 9816-9872 , 2021

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

12

Computationally Guided Searches for Efficient Catalysts thr..:

Griego, Charles D. ; Maldonado, Alex M. ; Zhao, Lingyan...
The Journal of Physical Chemistry C. 125 (2021) 12 - p. 6495-6507 , 2021

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

13

Gd‐Ni‐Sb‐SnO2 electrocatalysts for active and selective ozo..:

Lansing, James L. ; Zhao, Lingyan ; Siboonruang, Tana...
AIChE Journal. 67 (2021) 12 - p. , 2021

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

14

A Tribute to Emily A. Carter:

Zhuang, Houlong ; Keith, John ; Martinez, Todd
The Journal of Physical Chemistry A. 125 (2021) 8 - p. 1669-1670 , 2021

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

15

Child lead exposure near abandoned lead acid battery recycl..:

Chowdhury, Kamal Ibne Amin ; Nurunnahar, Syeda ; Kabir, Mohammad Lutful...
Environmental Research. 194 (2021) - p. 110689 , 2021

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