E-LIB Suche - Ergebnisse für: Hassanali, Ali

1

Exploring the Mechanisms behind Non-aromatic Fluorescence w..:

Díaz Mirón, Gonzalo ; Lien-Medrano, Carlos R. ; Banerjee, Debarshi...
Journal of Chemical Theory and Computation. , 2024

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

2

Beyond Local Structures in Critical Supercooled Water throu..:

Donkor, Edward Danquah ; Offei-Danso, Adu ; Rodriguez, Alex..
The Journal of Physical Chemistry Letters. 15 (2024) 15 - p. 3996-4005 , 2024

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

3

Solvation thermodynamics from cavity shapes of amino acids:

Azizi, Khatereh ; Laio, Alessandro ; Hassanali, Ali.
PNAS Nexus. 2 (2023) 8 - p. , 2023

Link: https://doi.org/10.1093/..

4

Do Machine-Learning Atomic Descriptors and Order Parameters..:

Donkor, Edward Danquah ; Laio, Alessandro ; Hassanali, Ali
Journal of Chemical Theory and Computation. , 2023

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

5

Effect of Quantum Delocalization on Temperature Dependent D..:

Mondal, Unmesh ; Girotto, Ivan ; Hassanali, Ali.
The Journal of Physical Chemistry B. 127 (2023) 23 - p. 5263-5272 , 2023

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

6

Examining the origins of observed terahertz modes from an o..:

Azizi, Khatereh ; Gori, Matteo ; Morzan, Uriel...
PNAS Nexus. 2 (2023) 8 - p. , 2023

Link: https://doi.org/10.1093/..

7

Lessons Learned from Multiobjective Automatic Optimizations..:

Perrone, Mattia ; Capelli, Riccardo ; Empereur-mot, Charly..
Journal of Chemical & Engineering Data. 68 (2023) 12 - p. 3228-3241 , 2023

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

8

Water Self‐Dissociation is Insensitive to Nanoscale Environ..:

Di Pino, Solana ; Perez Sirkin, Yamila A. ; Morzan, Uriel N....
Angewandte Chemie International Edition. 62 (2023) 34 - p. , 2023

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

9

Nonreciprocal forces enable cold-to-hot heat transfer betwe..:

Loos, Sarah A. M. ; Arabha, Saeed ; Rajabpour, Ali..
Scientific Reports. 13 (2023) 1 - p. , 2023

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

10

The collective burst mechanism of angular jumps in liquid w..:

Offei-Danso, Adu ; Morzan, Uriel N. ; Rodriguez, Alex..
Nature Communications. 14 (2023) 1 - p. , 2023

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

11

Water Self‐Dissociation is Insensitive to Nanoscale Environ..:

Di Pino, Solana ; Perez Sirkin, Yamila A. ; Morzan, Uriel N....
Angewandte Chemie. 135 (2023) 34 - p. , 2023

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

12

Free energy decompositions illuminate synergistic effects i..:

Egan, Colin K. ; Hassanali, Ali
The Journal of Chemical Physics. 159 (2023) 10 - p. , 2023

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

13

The carbonyl-lock mechanism underlying non-aromatic fluores..:

Mirón, Gonzalo Díaz ; Semelak, Jonathan A. ; Grisanti, Luca...
Nature Communications. 14 (2023) 1 - p. , 2023

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

14

ZundEig: The Structure of the Proton in Liquid Water from U..:

Di Pino, Solana ; Donkor, Edward Danquah ; Sánchez, Veronica M....
The Journal of Physical Chemistry B. 127 (2023) 45 - p. 9822-9832 , 2023

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

15

Zirconium Coordination Chemistry and Its Role in Optimizing..:

Sormani, Giulia ; Korde, Aruna ; Rodriguez, Alex..
ACS Omega. 8 (2023) 39 - p. 36032-36042 , 2023

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