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Physical Chemistry Chemical Physics : PCCP|June 15, 2018
The dioxygen adducts of iron and manganese porphyrins: electronic structure and binding energyQuan Manh Phung, Kristine PierlootJournal of Chemical Theory and Computation|April 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 GroupQuan Manh Phung, Kristine PierlootChemistry (Weinheim an Der Bergstrasse, Germany)|July 18, 2019
Electronic Structure of N-Bridged High-Valent Diiron-OxoQuan Manh Phung, Kristine PierlootInorganic Chemistry|August 18, 2020
Electronic Structure of Neutral and Anionic Iron-Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group InvestigationKristine Pierloot, Quan Manh Phung, Abhik GhoshJournal of Chemical Theory and Computation|December 23, 2016
Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation TheoryKristine Pierloot, Quan Manh Phung, Alex DomingoJournal of Chemical Theory and Computation|August 23, 2016
Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark StudyQuan Manh Phung, Sebastian Wouters, Kristine PierlootInorganic Chemistry|May 18, 2026
Hydrogen Atom Transfer Barriers by High-Valent Iron(IV)-Oxo Complexes: A DFT and Multireference Ab Initio StudyVic Austen, Takeshi Yanai, Quan Manh PhungChemistry (Weinheim an Der Bergstrasse, Germany)|October 26, 2017
Dinuclear Iron(II) Spin-Crossover Compounds: A Theoretical StudyQuan Manh Phung, Alex Domingo, Kristine PierlootJournal of Chemical Theory and Computation|November 24, 2015
A Multiconfigurational Perturbation Theory and Density Functional Theory Study on the Heterolytic Dissociation Enthalpy of First-Row MetallocenesQuan Manh Phung, Steven Vancoillie, Kristine PierlootJournal of Chemical Theory and Computation|November 21, 2015
Theoretical Study of the Dissociation Energy of First-Row Metallocenium IonsQuan Manh Phung, Steven Vancoillie, Kristine PierlootPageof 5