Kristine Pierloot

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2020
Publications (10 Years): 10

Top Topics

Density Functional Theory

Electron Transfer

Placebo Controlled

Top Venues

Journal of chemical theory and computation

Inorganic chemistry

Chemistry (Weinheim an der Bergstrasse, Germany)

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Kristine Pierloot, Quan Manh Phung, Abhik Ghosh
Electronic Structure of Neutral and Anionic Iron-Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group Investigation. Inorganic chemistry 59 (16) (2020)
Milica Feldt, Quan Manh Phung, Kristine Pierloot, Ricardo A Mata, Jeremy N Harvey
Limits of Coupled-Cluster Calculations for Non-Heme Iron Complexes. Journal of chemical theory and computation 15 (2) (2019)
Quan Manh Phung, Kristine Pierloot
Electronic Structure of N-Bridged High-Valent Diiron-Oxo. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (54) (2019)
Quan Manh Phung, Kristine Pierloot
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. Journal of chemical theory and computation 15 (5) (2019)
Meiyuan Guo, Erik Källman, Rahul V Pinjari, Rafael C Couto, Lasse Kragh Sørensen, Roland Lindh, Kristine Pierloot, Marcus Lundberg
Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra. Journal of chemical theory and computation 15 (1) (2018)
Quan Manh Phung, Milica Feldt, Jeremy N Harvey, Kristine Pierloot
Toward Highly Accurate Spin State Energetics in First-Row Transition Metal Complexes: A Combined CASPT2/CC Approach. Journal of chemical theory and computation 14 (5) (2018)
Max L Bols, Simon D Hallaert, Benjamin E R Snyder, Julien Devos, Dieter Plessers, Hannah M Rhoda, Michiel Dusselier, Robert A Schoonheydt, Kristine Pierloot, Edward I Solomon, Bert F Sels
Spectroscopic Identification of the α-Fe/α-O Active Site in Fe-CHA Zeolite for the Low-Temperature Activation of the Methane C-H Bond. Journal of the American Chemical Society 140 (38) (2018)
Naheed Bibi, Eduardo Guimarães Ratier de Arruda, Alex Domingo, Aline Alves Oliveira, Carolina Galuppo, Quan Manh Phung, Naíma Mohammed Orra, Fanny Béron, Andrea Paesano, Kristine Pierloot, André Luiz Barboza Formiga
Switching the Spin-Crossover Phenomenon by Ligand Design on Imidazole-Diazineiron(II) Complexes. Inorganic chemistry 57 (23) (2018)
Geng Dong, Quan Manh Phung, Kristine Pierloot, Ulf Ryde
Reaction Mechanism of [NiFe] Hydrogenase Studied by Computational Methods. Inorganic chemistry 57 (24) (2018)
Quan Manh Phung, Alex Domingo, Kristine Pierloot
Dinuclear Iron(II) Spin-Crossover Compounds: A Theoretical Study. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (20) (2017)