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Absolutely Localized Projection-Based Embedding for Excited States

scientific article published on 12 December 2019

Carbodiimide Synthesis via Ti-Catalyzed Nitrene Transfer from Diazenes to Isocyanides

scientific article published on 11 November 2019

Cp2Ti(κ2-tBuNCNtBu): A Complex with an Unusual κ2 Coordination Mode of a Heterocumulene Featuring a Free Carbene

scientific article published on 02 April 2020

Fully Quantum Embedding with Density Functional Theory for Full Configuration Interaction Quantum Monte Carlo

scientific article published on 23 September 2019

Improved Accuracy and Efficiency in Quantum Embedding through Absolute Localization.

artículo científico publicado en 2017

Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis

artículo científico publicado en 2020

Mechanism of Ti-Catalyzed Oxidative Nitrene Transfer in [2 + 2 + 1] Pyrrole Synthesis from Alkynes and Azobenzene.

artículo científico publicado en 2018

Mechanistic Studies of Bioorthogonal ATP Analogues for Assessment of Histidine Kinase Autophosphorylation

artículo científico publicado en 2020

Plasmon-Mediated Intramolecular Methyl Migration with Nanoscale Spatial Control

scientific article published on 09 December 2020

Projection-Based Correlated Wave Function in Density Functional Theory Embedding for Periodic Systems

scientific article published on 20 March 2018

Robust, Accurate, and Efficient: Quantum Embedding Using the Huzinaga Level-Shift Projection Operator for Complex Systems

artículo científico publicado en 2020

The Stability of the Complex and the Basicity of the Anion Impact the Selectivity and Affinity of Tripodal Gadolinium Complexes for Anions

scientific article published on 01 November 2019

Ti-catalyzed ring-opening oxidative amination of methylenecyclopropanes with diazenes

artículo científico publicado en 2020

Tricarabrols A–C, three anti-inflammatory sesquiterpene lactone trimers featuring a methylene-tethered linkage from Carpesium faberi

artículo científico

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