Giovanni Scalmani

10PUBLICATIONS
32CO-AUTHORS
Condensed matter modelling and density functional theoryRadiation and matterChemical thermodynamics and energeticsComputational chemistryTheory and design of materials
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Publications (10)

|Jan 09, 2026
Weak Noncovalent Interactions in Nonequilibrium Structures: How Good Are the Dispersion Corrections?

Lorenzo Briccolani-Bandini, Bhavesh Gnnanapareddy, Frédéric Labat

|Jul 24, 2025
Computational efficiency meets spectroscopic accuracy: an unsupervised workflow for equilibrium geometries and vibrational effects in gas-phase prebiotic molecules.

Marco Mendolicchio, Lina Uribe, Federico Lazzari

|Jul 30, 2024
Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol.

Michele Nottoli, Edoardo Vanich, Lorenzo Cupellini

|Feb 27, 2024
Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?

Hanwei Li, Maryam Mansoori Kermani, Alistar Ottochian

|Feb 22, 2024
Axial-equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem.

Hanwei Li, Eric Brémond, Juan Carlos Sancho-García

|Dec 14, 2023
M11pz: A Nonlocal Meta Functional with Zero Hartree-Fock Exchange and with Broad Accuracy for Chemical Energies and Structures.

Siriluk Kanchanakungwankul, Pragya Verma, Benjamin G Janesko

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Frequent Collaborators

4 joint publications

Donald G Truhlar

4 joint publications

Carlo Adamo

4 joint publications

Benjamin G Janesko

2 joint publications

Pragya Verma