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Gagliardi, Laura
1201
results:
Format
Online (1201)
Mediatypes
Articles (Online) (642)
Bookchapter (Online) (2)
OpenAccess-fulltext (555)
Thesis (Online) (2)
Languages
german (10)
english (1024)
more...
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french (2)
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?
1
A US perspective on closing the carbon cycle to defossilize..:
Shaw, Wendy J.
;
Kidder, Michelle K.
;
Bare, Simon R.
...
Nature Reviews Chemistry. 8 (2024) 5 - p. 376-400 , 2024
Link:
https://doi.org/10.1038/..
?
2
Divergent Bimetallic Mechanisms in Copper(II)-Mediated C–C,..:
King, Daniel S.
;
Wang, Fei
;
Gerken, James B.
...
Journal of the American Chemical Society. 146 (2024) 5 - p. 3521-3530 , 2024
Link:
https://doi.org/10.1021/..
?
3
Core Binding Energy Calculations: A Scalable Approach with ..:
Jangid, Bhavnesh
;
Hermes, Matthew R.
;
Gagliardi, Laura
The Journal of Physical Chemistry Letters. 15 (2024) 22 - p. 5954-5963 , 2024
Link:
https://doi.org/10.1021/..
?
4
Aliovalent Substitution Tunes Physical Properties in a Cond..:
Wang, Lei
;
Daru, Andrea
;
Jangid, Bhavnesh
...
Journal of the American Chemical Society. 146 (2024) 17 - p. 12063-12073 , 2024
Link:
https://doi.org/10.1021/..
?
5
Catalytic, Spectroscopic, and Theoretical Studies of Fe4S4-..:
Jiang, Ningxin
;
Darù, Andrea
;
Kunstelj, Špela
...
Journal of the American Chemical Society. 146 (2024) 17 - p. 12243-12252 , 2024
Link:
https://doi.org/10.1021/..
?
6
High-Temperature Water Adsorption Isotherms and Ambient Tem..:
Hastings, Jon
;
Lassitter, Thomas
;
Zheng, Zhiling
...
The Journal of Physical Chemistry C. , 2024
Link:
https://doi.org/10.1021/..
?
7
Harvesting Water from Air with High-Capacity, Stable Furan-..:
Alawadhi, Ali H.
;
Chheda, Saumil
;
Stroscio, Gautam D.
...
Journal of the American Chemical Society. 146 (2024) 3 - p. 2160-2166 , 2024
Link:
https://doi.org/10.1021/..
?
8
State Preparation in Quantum Algorithms for Fragment-Based ..:
D'Cunha, Ruhee
;
Otten, Matthew
;
Hermes, Matthew R.
..
Journal of Chemical Theory and Computation. , 2024
Link:
https://doi.org/10.1021/..
?
9
Quantum-centric supercomputing for materials science: A per..:
Alexeev, Yuri
;
Amsler, Maximilian
;
Barroca, Marco Antonio
...
Future Generation Computer Systems. 160 (2024) - p. 666-710 , 2024
Link:
https://doi.org/10.1016/..
?
10
Analytic Nuclear Gradients for Complete Active Space Linear..:
Hennefarth, Matthew R.
;
Hermes, Matthew R.
;
Truhlar, Donald G.
.
Journal of Chemical Theory and Computation. , 2024
Link:
https://doi.org/10.1021/..
?
11
Unveiling the Role of Surface Ir-Oxo Species in O2 Evolutio..:
Fasulo, Francesca
;
Mitra, Abhishek
;
Muñoz-García, Ana B.
..
The Journal of Physical Chemistry C. 128 (2024) 17 - p. 7343-7351 , 2024
Link:
https://doi.org/10.1021/..
?
12
Organic Reactivity Made Easy and Accurate with Automated Mu..:
Wardzala, Jacob J.
;
King, Daniel S.
;
Ogunfowora, Lawal
..
ACS Central Science. , 2024
Link:
https://doi.org/10.1021/..
?
13
Automatic State Interaction with Large Localized Active Spa..:
Agarawal, Valay
;
King, Daniel S.
;
Hermes, Matthew R.
.
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4654-4662 , 2024
Link:
https://doi.org/10.1021/..
?
14
Minimum-Energy Conical Intersections by Compressed Multista..:
Calio, Paul B.
;
Hermes, Matthew R.
;
Bao, Jie J.
...
The Journal of Physical Chemistry A. 128 (2024) 9 - p. 1698-1706 , 2024
Link:
https://doi.org/10.1021/..
?
15
Distinguishing homolytic vs heterolytic bond dissociation o..:
Wang, Qiaohong
;
Agarawal, Valay
;
Hermes, Matthew R.
...
The Journal of Chemical Physics. 161 (2024) 1 - p. , 2024
Link:
https://doi.org/10.1063/..
1-15