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Quantum Effects in Liquid Water

Quantum Effects in Liquid Water

Synergy Between Experimental and Computational Approaches

Synergy Between Experimental and Computational Approaches

Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry

Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry

Solving Chemical Problems Using Computational Chemistry

Solving Chemical Problems Using Computational Chemistry

A Method For Calculating Protein Stability

A Method For Calculating Protein Stability

Spinning and Rotating: Two for the price of one

Spinning and Rotating: Two for the price of one

The basis set limit is no longer a chimera: DFT energy and properties with multiwavelets

The basis set limit is no longer a chimera: DFT energy and properties with multiwavelets

Classical molecular dynamics simulations of bacterial membranes

Classical molecular dynamics simulations of bacterial membranes

Quantum Chemistry of Crystalline Solids Using a Local Basis Set: the CRYSTAL and CRYSCOR Codes

Quantum Chemistry of Crystalline Solids Using a Local Basis Set: the CRYSTAL and CRYSCOR Codes

A bird's-eye view of solids and band structures

A bird's-eye view of solids and band structures

Challenging TD-DFT in Catalyst Design Aimed at Water Oxidation and Carbon Dioxide Reduction

Challenging TD-DFT in Catalyst Design Aimed at Water Oxidation and Carbon Dioxide Reduction

PCMSolver: An Application Programming Interface for the Polarizable Continuum Model

PCMSolver: An Application Programming Interface for the Polarizable Continuum Model

Two short stories on relativistic effects in chemistry

Two short stories on relativistic effects in chemistry