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- 2014
- The influence of Ser-154, Cys-113, and the phosphorylated threonine residue on the catalytic reaction mechanism of Pin1
- Deriving the Hirshfeld partitioning using distance metrics
- 2013
- The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r⁴) scaling
- The sharp-G N-representability condition
- 2012
- Considerations on describing non-singlet spin states in variational second order density matrix methods
- Stockholder projector analysis: a Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors
- 2011
- Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the Hirshfeld-I partitioning of the electron density
- 2010
- Chemical verification of variational second-order density matrix based potential energy surfaces for the N-2 isoelectronic series
- Subsystem constraints in variational second order density matrix optimization: curing the dissociative behavior
- 2009
- Spin-density wave in Cr: nesting versus low-lying thermal excitations