PUMA

academical publication management
collect, organize, and share publications

( en | de )

 

Disambiguation of "Scalmani, Giovanni"

Author of the publication

copydeleteadd this publication to your clipboard
Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum Model

, , , and . Journal of chemical theory and computation, 15 (11): 6061-6073 (2019)
DOI: 10.1021/acs.jctc.9b00640

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Giovanni Masala University of Stuttgart

 

Other publications of authors with the same name

How to make continuum solvation incredibly fast in a few simple steps: A practical guide to the domain decomposition paradigm for the conductor‐like screening model, , , , , , , , and . International Journal of Quantum Chemistry, (Jan 5, 2019)Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum Model, , , and . Journal of chemical theory and computation, 15 (11): 6061-6073 (2019)Charge transfer excitations in TDDFT: A ghost-hunter index., , , , , and . Journal of Computational Chemistry, 38 (25): 2151-2156 (2017)Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution., , , and . Journal of Computational Chemistry, 23 (3): 341-350 (2002)Quantum calculations in solution for large to very large molecules: A new linear scaling QM/continuum approach, , , , , , , , and . Journal of Physical Chemistry Letters, 5 (6): 953-958 (2014)Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model., , , and . Journal of Computational Chemistry, 24 (6): 669-681 (2003)Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy, , , , , , , , and . Journal of Chemical Physics, (2014)How are the charge transfer descriptors affected by the quality of the underpinning electronic density?, , , , , and . Journal of Computational Chemistry, 39 (12): 735-742 (2018)Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions : New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters, , , , , and . Journal of chemical theory and computation, 18 (4): 2479-2493 (2022)How to make continuum solvation incredibly fast in a few simple steps: A practical guide to the domain decomposition paradigm for the conductor-like screening model, , , , , , , , and . International Journal of Quantum Chemistry, (August 2018)