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Dumitru-Claudiu Sergentu
Dumitru-Claudiu Sergentu
Scientific Research Asistant, Alexandru Ioan Cuza University of Iasi
Verified email at uaic.ro
Title
Cited by
Cited by
Year
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 2020
3272020
A diuranium carbide cluster stabilized inside a C80 fullerene cage
X Zhang, W Li, L Feng, X Chen, A Hansen, S Grimme, S Fortier, ...
Nature communications 9 (1), 2753, 2018
682018
Understanding and controlling the emission brightness and color of molecular cerium luminophores
Y Qiao, DC Sergentu, H Yin, AV Zabula, T Cheisson, A McSkimming, ...
Journal of the American Chemical Society 140 (13), 4588-4595, 2018
582018
Ab initio study of covalency in the ground versus core-excited states and X-ray absorption spectra of actinide complexes
DC Sergentu, TJ Duignan, J Autschbach
The journal of physical chemistry letters 9 (18), 5583-5591, 2018
562018
Computational determination of the dominant triplet population mechanism in photoexcited benzophenone
DC Sergentu, R Maurice, RWA Havenith, R Broer, D Roca-Sanjuán
Physical Chemistry Chemical Physics 16 (46), 25393-25403, 2014
562014
Use of 15 N NMR spectroscopy to probe covalency in a thorium nitride
SL Staun, DC Sergentu, G Wu, J Autschbach, TW Hayton
Chemical science 10 (26), 6431-6436, 2019
552019
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023
512023
Targeted radionuclide therapy with astatine-211: Oxidative dehalogenation of astatobenzoate conjugates
D Teze, DC Sergentu, V Kalichuk, J Barbet, D Deniaud, N Galland, ...
Scientific Reports 7 (1), 2579, 2017
512017
Advances on the Determination of the Astatine Pourbaix Diagram: Predomination of AtO(OH)2 over At in Basic Conditions
DC Sergentu, D Teze, A Sabatié‐Gogova, C Alliot, N Guo, F Bassal, ...
Chemistry–A European Journal 22 (9), 2964-2971, 2016
462016
Scrutinizing “Invisible” astatine: A challenge for modern density functionals
DC Sergentu, G David, G Montavon, R Maurice, N Galland
Journal of Computational Chemistry 37 (15), 1345-1354, 2016
452016
Diuranium(IV) Carbide Cluster U2C2 Stabilized Inside Fullerene Cages
J Zhuang, L Abella, DC Sergentu, YR Yao, M Jin, W Yang, X Zhang, X Li, ...
Journal of the American Chemical Society 141 (51), 20249-20260, 2019
422019
Compression of curium pyrrolidine-dithiocarbamate enhances covalency
JM Sperling, EJ Warzecha, C Celis-Barros, DC Sergentu, X Wang, ...
Nature 583 (7816), 396-399, 2020
372020
Probing the Electronic Structure of a Thorium Nitride Complex by Solid-State 15N NMR Spectroscopy
DC Sergentu, GT Kent, SL Staun, X Yu, H Cho, J Autschbach, TW Hayton
Inorganic Chemistry 59 (14), 10138-10145, 2020
332020
Ab Initio Analysis of Metal–Ligand Bonding in An(COT)2 with An=Th, U in Their Ground‐ and Core‐Excited States
G Ganguly, DC Sergentu, J Autschbach
Chemistry–A European Journal 26 (8), 1776-1788, 2020
252020
Homoleptic aryl complexes of uranium (IV)
NJ Wolford, DC Sergentu, WW Brennessel, J Autschbach, ML Neidig
Angewandte Chemie International Edition 58 (30), 10266-10270, 2019
252019
Probing Multiconfigurational States by Spectroscopy: The Cerium XAS L3‐edge Puzzle
DC Sergentu, CH Booth, J Autschbach
Chemistry–A European Journal 27 (25), 7239-7251, 2021
242021
Isolation and characterization of a covalent CeIV-Aryl complex with an anomalous 13C chemical shift
GB Panetti, DC Sergentu, MR Gau, PJ Carroll, J Autschbach, PJ Walsh, ...
Nature Communications 12 (1), 1713, 2021
232021
The Heaviest Possible Ternary Trihalogen Species, IAtBr, Evidenced in Aqueous Solution: An Experimental Performance Driven by Computations
N Guo, DC Sergentu, D Teze, J Champion, G Montavon, N Galland, ...
Angewandte Chemie 128 (49), 15595-15598, 2016
232016
Magnetic circular dichroism spectra of transition metal complexes calculated from restricted active space wavefunctions
YN Heit, DC Sergentu, J Autschbach
Physical Chemistry Chemical Physics 21 (10), 5586-5597, 2019
222019
The exceptional diversity of homoleptic uranium–methyl complexes
JD Sears, DC Sergentu, TM Baker, WW Brennessel, J Autschbach, ...
Angewandte Chemie International Edition 59 (32), 13586-13590, 2020
182020
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