Kristine Pierloot

10PUBLICATIONS
16CO-AUTHORS
Main group metal chemistryTheoretical quantum chemistryNonlinear optics and spectroscopyTransition metal chemistryMetal organic frameworks
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Publications (10)

|Aug 18, 2020
Electronic Structure of Neutral and Anionic Iron-Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group Investigation.

Kristine Pierloot, Quan Manh Phung, Abhik Ghosh

|Jul 18, 2019
Electronic Structure of N-Bridged High-Valent Diiron-Oxo.

Quan Manh Phung, Kristine Pierloot

|Apr 18, 2019
Low-Lying Electromeric States in Chloro-Ligated Iron(IV)-Oxo Porphyrin as a Model for Compound I, Studied with Second-Order Perturbation Theory Based on Density Matrix Renormalization Group.

Quan Manh Phung, Kristine Pierloot

|Jan 04, 2019
Limits of Coupled-Cluster Calculations for Non-Heme Iron Complexes.

Milica Feldt, Quan Manh Phung, Kristine Pierloot

|Dec 05, 2018
Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra.

Meiyuan Guo, Erik Källman, Rahul V Pinjari

|Dec 01, 2018
Reaction Mechanism of [NiFe] Hydrogenase Studied by Computational Methods.

Geng Dong, Quan Manh Phung, Kristine Pierloot

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Frequent Collaborators

5 joint publications

Quan Manh Phung

2 joint publications

Milica Feldt

2 joint publications

Jeremy N Harvey

1 joint publications

Max L Bols