Showing results (1-10 of 503) with videos related to

Sort By:
Pageof 51
The Journal of Chemical Physics|August 10, 2026
Topology-dependent refinement of molecular structures and vibrational propertiesLuigi Crisci, Federico Lazzari, Lina Uribe, et al.
The Journal of Physical Chemistry Letters|May 14, 2026
A General Accuracy Ladder for Molecular Structures: From Bonds to Interaction-Driven, Transferable Building BlocksLuigi Crisci, Lina Uribe, Federico Lazzari, et al.
The Journal of Physical Chemistry. A|April 1, 2026
Accurate yet Affordable Molecular Structures: Rotational and Vibrational Spectroscopic Parameters of Substituted Aromatic NitrilesLina Uribe, Luigi Crisci, Federico Lazzari, et al.
The Journal of Physical Chemistry Letters|July 27, 2026
Agreement Is Not Assignment: Dynamic Observables and the Limits of Structural ValidationVincenzo Barone, Luigi Crisci, Federico Lazzari, et al.
Journal of Chemical Theory and Computation|June 18, 2026
From Localized to Delocalized OH···O Hydrogen Bonds: Benchmark of Hierarchical Quantum Chemical Methods against Rotational SpectroscopyLina Uribe, Luigi Crisci, Federico Lazzari, et al.
The Journal of Physical Chemistry. A|January 6, 2025
Structures and Rotational Constants of Monocyclic Monoterpenes at DFT Cost by Pisa Composite Schemes and Vibrational Perturbation TheoryFederico Lazzari, Lina Uribe, Silvia Di Grande, et al.
The Journal of Physical Chemistry. A|March 26, 2024
Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and EstriolLina Uribe, Silvia Di Grande, Luigi Crisci, et al.
The Journal of Chemical Physics|July 3, 2024
Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS)Lina Uribe, Federico Lazzari, Silvia Di Grande, et al.
The Journal of Chemical Physics|March 20, 2026
Mechanical and electrical anharmonicity in the infrared spectra of graphene fragments: From planar polycyclic aromatic hydrocarbons to buckybowlsVincenzo Barone, Luigi Crisci, Silvia Di Grande, et al.
The Journal of Physical Chemistry Letters|July 14, 2025
Composite Gradient Schemes for Accurate Molecular Geometries: A Flexible Interface and Hierarchical Optimization WorkflowLuigi Crisci, Federico Lazzari, Vincenzo Barone
Pageof 51