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Neese, Frank
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1

Nitrate reduction enables safer aryldiazonium chemistry:

Mateos, Javier ; Schulte, Tim ; Behera, Deepak...
Science.  384 (2024)  6694 - p. 446-452 , 2024
Link: https://doi.org/10.1126/..
 
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2

Oxygen-Donor Metalloligands Induce Slow Magnetization Relax..:

Lococciolo, Giuseppe ; Gupta, Sandeep K. ; Dechert, Sebastian...
Inorganic Chemistry.  63 (2024)  12 - p. 5652-5663 , 2024
Link: https://doi.org/10.1021/..
 
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3

A theoretical spectroscopy study of the photoluminescence p..:

Shafei, Rami ; Strobel, Philipp Jean ; Schmidt, Peter J....
Physical Chemistry Chemical Physics.  26 (2024)  7 - p. 6277-6291 , 2024
Link: https://doi.org/10.1039/..
 
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4

Molybdenum(VI) Nitrido Complexes with Tripodal Silanolate L..:

Rütter, Daniel ; van Gastel, Maurice ; Leutzsch, Markus...
Inorganic Chemistry.  63 (2024)  18 - p. 8376-8389 , 2024
Link: https://doi.org/10.1021/..
 
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5

Code generation in ORCA: progress, efficiency and tight int..:

Lechner, Marvin H. ; Papadopoulos, Anastasios ; Sivalingam, Kantharuban...
Physical Chemistry Chemical Physics.  26 (2024)  21 - p. 15205-15220 , 2024
Link: https://doi.org/10.1039/..
 
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6

Structural characterization and reactivity of a room-temper..:

Schulte, Yannick ; Wölper, Christoph ; Rupf, Susanne M....
Nature Chemistry.  16 (2024)  4 - p. 651-657 , 2024
Link: https://doi.org/10.1038/..
 
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7

Valence-to-core X-ray emission spectroscopy of transition m..:

Roemelt, Christina ; Peredkov, Sergey ; Neese, Frank..
Physical Chemistry Chemical Physics.  26 (2024)  29 - p. 19960-19975 , 2024
Link: https://doi.org/10.1039/..
 
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8

Local Energy Decomposition Analysis of London Dispersion Ef..:

Bistoni, Giovanni ; Altun, Ahmet ; Wang, Zikuan.
Accounts of Chemical Research.  57 (2024)  9 - p. 1411-1420 , 2024
Link: https://doi.org/10.1021/..
 
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9

A perspective on the future of quantum chemical software: t..:

Neese, Frank
Faraday Discussions.  , 2024
Link: https://doi.org/10.1039/..
 
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10

Restricted Open-Shell Hartree–Fock Method for a General Con..:

Leyser da Costa Gouveia, Tiago ; Maganas, Dimitrios ; Neese, Frank
The Journal of Physical Chemistry A.  128 (2024)  25 - p. 5041-5053 , 2024
Link: https://doi.org/10.1021/..
 
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11

Oxygen-Donor Metalloligands Induce Slow Magnetization Relax..:

Lococciolo, Giuseppe ; Gupta, Sandeep K ; Dechert, Sebastian...
https://resolver.sub.uni-goettingen.de/purl?gro-2/142501.  , 2024
Link: https://resolver.sub.uni..
 
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12

Oxygen-Donor Metalloligands Induce Slow Magnetization Relax..:

Giuseppe Lococciolo ; Sandeep K. Gupta ; Sebastian Dechert...
https://figshare.com/articles/journal_contribution/Oxygen-Donor_Metalloligands_Induce_Slow_Magnetization_Relaxation_in_Zero_Field_for_a_Cobalt_II_Complex_with_CoO_sub_4_sub_Motif/25393021.  , 2024
Link: https://doi.org/10.1021/..
 
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13

Internally Contracted Multireference Coupled-Cluster Theori..:

Lechner, Marvin Harald , 2023
Link: https://nbn-resolving.de..
 
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14

Computational Modeling of Complex Chemical Transformations ..:

Harden, Ingolf , 2023
Link: https://nbn-resolving.de..
 
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15

Towards an improved description of chemical systems in solu..:

Reimann, Marc , 2023
Link: https://nbn-resolving.de..
 
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