Detalhe da pesquisa
1.
Relativistic Quantum Chemical Investigation of Actinide Covalency Measured by Electron Paramagnetic Resonance Spectroscopy.
J Am Chem Soc
; 146(21): 14660-14671, 2024 May 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38753552
2.
Carbene Complexes of Plutonium: Structure, Bonding, and Divergent Reactivity to Lanthanide Analogs.
J Am Chem Soc
; 146(6): 4098-4111, 2024 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38301208
3.
Uncovering the mechanism of selective stabilization of high-energy diastereoisomers via inclusion.
Theor Chem Acc
; 143(1): 4, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38098891
4.
AtomAccess: A Predictive Tool for Molecular Design and Its Application to the Targeted Synthesis of Dysprosium Single-Molecule Magnets.
J Am Chem Soc
; 145(41): 22814-22825, 2023 Oct 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37797311
5.
Theoretical Investigation of Single-Molecule-Magnet Behavior in Mononuclear Dysprosium and Californium Complexes.
Inorg Chem
; 62(4): 1649-1658, 2023 Jan 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-36652606
6.
The Effects of Ring Strain on Cyclic Tetraaryl[5]cumulenes.
Chemistry
; 28(38): e202200616, 2022 Jul 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35476301
7.
Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states.
J Chem Phys
; 154(7): 074108, 2021 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33607874
8.
Multiconfiguration Pair-Density Functional Theory for Transition Metal Silicide Bond Dissociation Energies, Bond Lengths, and State Orderings.
Molecules
; 26(10)2021 May 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-34068045
9.
Analytic gradients for state-averaged multiconfiguration pair-density functional theory.
J Chem Phys
; 153(1): 014106, 2020 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32640800
10.
Multireference Methods for Calculating the Dissociation Enthalpy of Tetrahedral P4 to Two P2.
J Phys Chem A
; 122(26): 5742-5749, 2018 Jul 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29870248
11.
Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy.
Chem Sci
; 15(8): 3003-3010, 2024 Feb 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38404384
12.
Mechanochemical synthesis of 0D and 3D cesium lead mixed halide perovskites.
Chem Commun (Camb)
; 55(35): 5079-5082, 2019 Apr 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-30969291
13.
Engaging dual donor sites within an N-heterocyclic olefin phosphine ligand.
Dalton Trans
; 46(18): 5946-5954, 2017 May 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-28418418
14.
The Future of Scientific Leadership is Interdisciplinary: The 2019 CAS Future Leaders Share Their Vision.
iScience
; 23(9): 101442, 2020 Sep 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-32822566