Quan Manh Phung

OpenMolcas: From source code to insight.

Sebastian Mai, Philipp Marquetand, Donald G Truhlar, 2019, Journal of chemical theory and computation.

Polarization consistent basis sets using the projector augmented wave method: a renovation brought by PAW into Gaussian basis sets.

Quan Manh Phung, Masaya Hagai, Xiao-Gen Xiong, 2020, Physical chemistry chemical physics : PCCP.

Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study.

Quan Manh Phung, Sebastian Wouters, K. Pierloot, 2016, Journal of chemical theory and computation.

Dinuclear Iron(II) Spin-Crossover Compounds: A Theoretical Study.

Alex Domingo, Quan Manh Phung, K. Pierloot, 2018, Chemistry.

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

Quan Manh Phung, Milica Feldt, J. Harvey, 2018, Journal of chemical theory and computation.

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

Alex Domingo, Quan Manh Phung, K. Pierloot, 2017, Journal of chemical theory and computation.