Quan Manh Phung

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

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 OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry

Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2023 · 286 citations · Full text

Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation Theory

Kristine Pierloot, Quan Manh Phung, Alex Domingo · Journal of Chemical Theory and Computation · 2016 · 168 citations · Full text

Engineering, Theoretical Inorganic Chemistry, Magnetic Resonance +17

Toward Highly Accurate Spin State Energetics in First-Row Transition Metal Complexes: A Combined CASPT2/CC Approach

Quan Manh Phung, Milica Feldt, Jeremy N. Harvey et al. · Journal of Chemical Theory and Computation · 2018 · 156 citations · Full text