E-LIB Suche - Ergebnisse für: Wilson, Angela K.

1

Insight on PFAS interactions with human thyroglobulin throu..:

Bali, Semiha Kevser ; Martin, Rebecca ; Almeida, M.S. Nuno..
Biophysical Journal. 123 (2024) 3 - p. 472a-473a , 2024

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

2

Correlation consistent basis sets designed for density func..:

Determan, John J. ; Wilson, Angela K.
The Journal of Chemical Physics. 160 (2024) 8 - p. , 2024

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

3

Potential energy surfaces and dynamic properties via ab ini..:

Patel, Prajay ; Chung, Joseph ; Bowman, Max Aksel..
Journal of Computational Chemistry. 45 (2024) 16 - p. 1352-1363 , 2024

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

4

Solid‐Phase‐Supported Chemoenzymatic Synthesis and Analysis..:

Lin, Po‐han ; Xu, Yongmei ; Bali, Semiha Kevser...
Angewandte Chemie International Edition. , 2024

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

5

Quantum computing and chemistry:

Weidman, Jared D. ; Sajjan, Manas ; Mikolas, Camille...
Cell Reports Physical Science. , 2024

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

6

Effect of Long-Lived Ground-State Diradicaloids on the Phot..:

Muthike, Angelar K. ; Awais, Mohammad Ahmad ; Wang, Cong...
ACS Applied Energy Materials. 7 (2024) 11 - p. 4904-4918 , 2024

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

7

Super-correlation consistent composite approach (s-ccCA) fo..:

Welch, Bradley K. ; Wilson, Angela K.
Chemical Physics Letters. 849 (2024) - p. 141423 , 2024

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

8

Unraveling the electronic structure of LuH, LuN, and LuNH: ..:

Almeida, Nuno M. S. ; Welch, Bradley K. ; North, Sasha C..
Physical Chemistry Chemical Physics. 26 (2024) 13 - p. 10427-10438 , 2024

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

9

Simulating Chemistry on Bosonic Quantum Devices:

Dutta, Rishab ; Cabral, Delmar G. A. ; Lyu, Ningyi...
Journal of Chemical Theory and Computation. , 2024

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

10

Coulomb Interaction-Driven Entanglement of Electrons on Hel..:

Beysengulov, Niyaz R. ; Schøyen, Øyvind S. ; Bilek, Stian D....
PRX Quantum. 5 (2024) 3 - p. , 2024

Link: https://doi.org/10.1103/..

11

Solid‐Phase‐Supported Chemoenzymatic Synthesis and Analysis..:

Lin, Po‐han ; Xu, Yongmei ; Bali, Semiha Kevser...
Angewandte Chemie. , 2024

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

12

Binding of Per- and Polyfluoroalkyl Substances (PFAS) to th..:

Almeida, Nuno M. S. ; Bali, Semiha Kevser ; James, Deepak..
Journal of Chemical Information and Modeling. 63 (2023) 23 - p. 7423-7443 , 2023

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

13

Influence of Soil Minerals on the Adsorption, Structure, an..:

Schumm, Christina E. ; Loganathan, Narasimhan ; Wilson, Angela K.
ACS ES&T Water. 3 (2023) 8 - p. 2659-2670 , 2023

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

14

Multireference Wavefunction-Based Investigation of the Grou..:

North, Sasha C. ; Almeida, Nuno M. S. ; Melin, Timothé R. L..
The Journal of Physical Chemistry A. 127 (2023) 1 - p. 107-121 , 2023

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

15

High-levelab initiocomposites: thermochemical bond dissocia..:

Welch, Bradley ; McLean, Ryan ; Wilson, Angela K.
Molecular Physics. 121 (2023) 24 - p. , 2023

Link: https://doi.org/10.1080/..