Kristine Pierloot

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

Software Maintenance, Engineering, Software Engineering +23

The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systems

Per‐Åke Malmqvist, Kristine Pierloot, Abdul Rehaman Moughal Shahi et al. · The Journal of Chemical Physics · 2008 · 529 citations · Full text

Engineering, Computational Chemistry, Geometric Singular Perturbation Theory +16

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

Kristine Pierloot, Birgit Dumez, Per‐Olof Widmark et al. · Theoretical Chemistry Accounts · 1995 · 528 citations

Quantum Dynamic, Engineering, Physics +12

Modern quantum chemistry with [Open]Molcas

Francesco Aquilante, Jochen Autschbach, Alberto Baiardi et al. · The Journal of Chemical Physics · 2020 · 482 citations · Full text

Magnetic Properties, Chemical Applications, Engineering +9

The active site of low-temperature methane hydroxylation in iron-containing zeolites

Benjamin E. R. Snyder, Pieter Vanelderen, Max L. Bols et al. · Nature · 2016 · 439 citations

Chemical Engineering, Engineering, Heterogeneous Catalysis +6