E-LIB Suche - Ergebnisse für: Vincenzo Barone (715248)

1

Metallocenes and Beyond for Propene Polymerization: Energy ..:

Alessandra Cicolella (14265033) ; Eugenio Romano (13609936) ; Vincenzo Barone (715248)..
https://figshare.com/articles/dataset/Metallocenes_and_Beyond_for_Propene_Polymerization_Energy_Decomposition_of_Density_Functional_Computations_Unravels_the_Different_Interplay_of_Stereoelectronic_Effects/21732900. , 2022

Link: https://doi.org/10.1021/..

2

Autobiography of Vincenzo Barone:

Vincenzo Barone (715248)
https://figshare.com/articles/journal_contribution/Autobiography_of_Vincenzo_Barone/21731257. , 2022

Link: https://doi.org/10.1021/..

3

Autobiography of Vincenzo Barone:

Vincenzo Barone (715248)
https://figshare.com/articles/journal_contribution/Autobiography_of_Vincenzo_Barone/21731260. , 2022

Link: https://doi.org/10.1021/..

4

Metallocenes and Beyond for Propene Polymerization: Energy ..:

Alessandra Cicolella (14265033) ; Eugenio Romano (13609936) ; Vincenzo Barone (715248)..
https://figshare.com/articles/journal_contribution/Metallocenes_and_Beyond_for_Propene_Polymerization_Energy_Decomposition_of_Density_Functional_Computations_Unravels_the_Different_Interplay_of_Stereoelectronic_Effects/21732897. , 2022

Link: https://doi.org/10.1021/..

5

Autobiography of Vincenzo Barone:

Vincenzo Barone (715248)
https://figshare.com/articles/journal_contribution/Autobiography_of_Vincenzo_Barone/21731263. , 2022

Link: https://doi.org/10.1021/..

6

Gas-Phase Formation and Isomerization Reactions of Cyanoace..:

Bernardo Ballotta (10781825) ; Surajit Nandi (3368402) ; Vincenzo Barone (715248).
https://figshare.com/articles/dataset/Gas-Phase_Formation_and_Isomerization_Reactions_of_Cyanoacetaldehyde_a_Prebiotic_Molecule_of_Astrochemical_Interest/14572925. , 2021

Link: https://doi.org/10.1021/..

7

Development and Validation of a Parameter-Free Model Chemis..:

Vincenzo Barone (715248) ; Jacopo Lupi (8544780) ; Zoi Salta (2379937).
https://figshare.com/articles/journal_contribution/Development_and_Validation_of_a_Parameter-Free_Model_Chemistry_for_the_Computation_of_Reliable_Reaction_Rates/14920106. , 2021

Link: https://doi.org/10.1021/..

8

junChS and junChS-F12 Models: Parameter-free Efficient yet ..:

Jacopo Lupi (8544780) ; Silvia Alessandrini (5729696) ; Cristina Puzzarini (547103).
https://figshare.com/articles/journal_contribution/junChS_and_junChS-F12_Models_Parameter-free_Efficient_yet_Accurate_Composite_Schemes_for_Energies_and_Structures_of_Noncovalent_Complexes/16861951. , 2021

Link: https://doi.org/10.1021/..

9

Gas-Phase Formation and Isomerization Reactions of Cyanoace..:

Bernardo Ballotta (10781825) ; Surajit Nandi (3368402) ; Vincenzo Barone (715248).
https://figshare.com/articles/dataset/Gas-Phase_Formation_and_Isomerization_Reactions_of_Cyanoacetaldehyde_a_Prebiotic_Molecule_of_Astrochemical_Interest/14572928. , 2021

Link: https://doi.org/10.1021/..

10

Gas-Phase Formation and Isomerization Reactions of Cyanoace..:

Bernardo Ballotta (10781825) ; Surajit Nandi (3368402) ; Vincenzo Barone (715248).
https://figshare.com/articles/journal_contribution/Gas-Phase_Formation_and_Isomerization_Reactions_of_Cyanoacetaldehyde_a_Prebiotic_Molecule_of_Astrochemical_Interest/14572919. , 2021

Link: https://doi.org/10.1021/..

11

DataSheet1_Accuracy and Reliability in the Simulation of Vi..:

Qin Yang (25816) ; Marco Mendolicchio (3997400) ; Vincenzo Barone (715248).
https://figshare.com/articles/dataset/DataSheet1_Accuracy_and_Reliability_in_the_Simulation_of_Vibrational_Spectra_A_Comprehensive_Benchmark_of_Energies_and_Intensities_Issuing_From_Generalized_Vibrational_Perturbation_Theory_to_Second_Order_GVPT2_pdf/14706075. , 2021

Link: https://doi.org/10.3389/..

12

4‑Fluoro-Threonine: From Diastereoselective Synthesis to pH..:

Simone Potenti (5687831) ; Lorenzo Spada (1317567) ; Marco Fusè (7516805)...
https://figshare.com/articles/journal_contribution/4_Fluoro-Threonine_From_Diastereoselective_Synthesis_to_pH-Dependent_Conformational_Equilibrium_in_Aqueous_Solution/14599020. , 2021

Link: https://doi.org/10.1021/..

13

Exploring the Maze of Cycloserine Conformers in the Gas Pha..:

Elena R. Alonso (2180634) ; Marco Fusè (7516805) ; Iker León (1822159)...
https://figshare.com/articles/journal_contribution/Exploring_the_Maze_of_Cycloserine_Conformers_in_the_Gas_Phase_Guided_by_Microwave_Spectroscopy_and_Quantum_Chemistry/14161674. , 2021

Link: https://doi.org/10.1021/..

14

Enhancing the Accuracy of Ab Initio Molecular Dynamics by F..:

Nuno Barbosa (1549567) ; Marco Pagliai (1282797) ; Sourab Sinha (1524322)...
https://figshare.com/articles/journal_contribution/Enhancing_the_Accuracy_of_Ab_Initio_Molecular_Dynamics_by_Fine_Tuning_of_Effective_Two-Body_Interactions_Acetonitrile_as_a_Test_Case/17096725. , 2021

Link: https://doi.org/10.1021/..

15

High Water Density at Non-Ice-Binding Surfaces Contributes ..:

Akash Deep Biswas (11401623) ; Vincenzo Barone (715248) ; Isabella Daidone (206122)
https://figshare.com/articles/journal_contribution/High_Water_Density_at_Non-Ice-Binding_Surfaces_Contributes_to_the_Hyperactivity_of_Antifreeze_Proteins/16578879. , 2021

Link: https://doi.org/10.1021/..