E-LIB Suche - Ergebnisse für: Hait, Diptarka

1

Understanding ion-transfer reactions in silver electrodisso..:

Kang, Richard ; Zhao, Yang ; Hait, Diptarka...
Chemical Science. 15 (2024) 13 - p. 4996-5008 , 2024

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

2

Predicting the X-ray Absorption Spectrum of Ozone with Sing..:

Hait, Diptarka ; Martínez, Todd J.
Journal of Chemical Theory and Computation. , 2024

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

3

Say NO to Optimization: A Nonorthogonal Quantum Eigensolver:

Baek, Unpil ; Hait, Diptarka ; Shee, James...
PRX Quantum. 4 (2023) 3 - p. , 2023

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

4

Femtosecond symmetry breaking and coherent relaxation of me..:

Ridente, Enrico ; Hait, Diptarka ; Haugen, Eric A....
Science. 380 (2023) 6646 - p. 713-717 , 2023

Link: https://doi.org/10.1126/..

5

When Is a Bond Broken? The Polarizability Perspective:

Hait, Diptarka ; Head‐Gordon, Martin
Angewandte Chemie International Edition. 62 (2023) 46 - p. , 2023

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

6

When Is a Bond Broken? The Polarizability Perspective:

Hait, Diptarka ; Head‐Gordon, Martin
Angewandte Chemie. 135 (2023) 46 - p. , 2023

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

7

Ultrafast X-ray Spectroscopy of Intersystem Crossing in Hex..:

Haugen, Eric A. ; Hait, Diptarka ; Scutelnic, Valeriu...
The Journal of Physical Chemistry A. 127 (2023) 3 - p. 634-644 , 2023

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

8

Probing C–I bond fission in the UV photochemistry of 2-iodo..:

Toulson, Benjamin W. ; Hait, Diptarka ; Faccialà, Davide...
The Journal of Chemical Physics. 159 (2023) 3 - p. , 2023

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

9

Revisiting the Performance of Time-Dependent Density Functi..:

Liang, Jiashu ; Feng, Xintian ; Hait, Diptarka.
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3460-3473 , 2022

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

10

Correction: Jahn-Teller distortion and dissociation of CCl4..:

Ross, Andrew D. ; Hait, Diptarka ; Scutelnic, Valeriu...
Chemical Science. 13 (2022) 35 - p. 10581-10581 , 2022

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

11

Computing x-ray absorption spectra from linear-response par..:

Hait, Diptarka ; Oosterbaan, Katherine J. ; Carter-Fenk, Kevin.
The Journal of Chemical Physics. 156 (2022) 20 - p. , 2022

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

12

Jahn-Teller distortion and dissociation of CCl4+ by transie..:

Ross, Andrew D. ; Hait, Diptarka ; Scutelnic, Valeriu...
Chemical Science. 13 (2022) 32 - p. 9310-9320 , 2022

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

13

Relativistic Orbital-Optimized Density Functional Theory fo..:

Cunha, Leonardo A. ; Hait, Diptarka ; Kang, Richard..
The Journal of Physical Chemistry Letters. 13 (2022) 15 - p. 3438-3449 , 2022

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

14

Real-Time Evolution for Ultracompact Hamiltonian Eigenstate..:

Klymko, Katherine ; Mejuto-Zaera, Carlos ; Cotton, Stephen J....
PRX Quantum. 3 (2022) 2 - p. , 2022

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

15

Exploring spin symmetry-breaking effects for static field i..:

Cunha, Leonardo A. ; Lee, Joonho ; Hait, Diptarka..
The Journal of Chemical Physics. 155 (2021) 1 - p. , 2021

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