Sledovat
Giovanni Bistoni
Giovanni Bistoni
E-mailová adresa ověřena na: unipg.it - Domovská stránka
Název
Citace
Citace
Rok
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster framework
WB Schneider, G Bistoni, M Sparta, M Saitow, C Riplinger, AA Auer, ...
Journal of Chemical Theory and Computation, 2016
2672016
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes
G Bistoni, S Rampino, N Scafuri, G Ciancaleoni, D Zuccaccia, L Belpassi, ...
Chemical science 7 (2), 1174-1184, 2016
1772016
Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers
F Neese, M Atanasov, G Bistoni, D Maganas, S Ye
Journal of the American Chemical Society 141 (7), 2814-2824, 2019
1162019
Understanding the role of dispersion in Frustrated Lewis Pairs and classical Lewis adducts: a Domain Based Local Pair Natural Orbital Coupled Cluster study
G Bistoni, AA Alexander, F Neese
Chemistry-A European Journal, 2016
1052016
Local energy decomposition of open-shell molecular systems in the domain-based local pair natural orbital coupled cluster framework
A Altun, M Saitow, F Neese, G Bistoni
Journal of chemical theory and computation 15 (3), 1616-1632, 2019
1032019
Effect of electron correlation on intermolecular interactions: a pair natural orbitals coupled cluster based local energy decomposition study
A Altun, F Neese, G Bistoni
journal of chemical theory and computation 15 (1), 215-228, 2018
1002018
The chemical bond in gold (I) complexes with N-heterocyclic carbenes
D Marchione, L Belpassi, G Bistoni, A Macchioni, F Tarantelli, ...
Organometallics 33 (16), 4200-4208, 2014
942014
When the Tolman Electronic Parameter Fails: A Comparative DFT and Charge Displacement Study of [(L)Ni(CO)3]0/– and [(L)Au(CO)]0/+
G Ciancaleoni, N Scafuri, G Bistoni, A Macchioni, F Tarantelli, ...
Inorganic Chemistry 53 (18), 9907-9916, 2014
902014
Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study
A Altun, F Neese, G Bistoni
Beilstein journal of organic chemistry 14 (1), 919-929, 2018
862018
Unveiling the photophysical properties of boron-dipyrromethene dyes using a new accurate excited state coupled cluster method
R Berraud-Pache, F Neese, G Bistoni, R Izsák
Journal of chemical theory and computation 16 (1), 564-575, 2019
822019
Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions
G Bistoni
Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (3), e1442, 2020
802020
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry
G Bistoni, S Rampino, F Tarantelli, L Belpassi
The Journal of Chemical Physics 142 (8), 2015
722015
Unveiling the delicate balance of steric and dispersion interactions in organocatalysis using high-level computational methods
D Yepes, F Neese, B List, G Bistoni
Journal of the American Chemical Society 142 (7), 3613-3625, 2020
672020
NHC-gold-alkyne complexes: Influence of the carbene backbone on the ion pair structure
G Ciancaleoni, L Biasiolo, G Bistoni, A Macchioni, F Tarantelli, ...
Organometallics 32 (15), 4444-4447, 2013
672013
Scalable and highly diastereo-and enantioselective catalytic Diels–Alder reaction of α, β-unsaturated methyl esters
T Gatzenmeier, M Turberg, D Yepes, Y Xie, F Neese, G Bistoni, B List
Journal of the American Chemical Society 140 (40), 12671-12676, 2018
662018
Disentanglement of donation and back-donation effects on experimental observables: a case study of gold-ethyne complexes
G Bistoni, L Belpassi, F Tarantelli
Angew. Chem., Int. Ed 52 (44), 11599-11602, 2013
652013
London dispersion effects in the coordination and activation of alkanes in σ-complexes: a local energy decomposition study
Q Lu, F Neese, G Bistoni
Physical Chemistry Chemical Physics 21 (22), 11569-11577, 2019
622019
Formation of agostic structures driven by London dispersion
Q Lu, F Neese, G Bistoni
Angewandte Chemie International Edition 57 (17), 4760-4764, 2018
622018
Extrapolation to the limit of a complete pair natural orbital space in local coupled-cluster calculations
A Altun, F Neese, G Bistoni
Journal of Chemical Theory and Computation 16 (10), 6142-6149, 2020
592020
London Dispersion Interactions in Pnictogen Cations [ECl2]+ and [E=E]2+ (E=P, As, Sb) Supported by Anionic N‐Heterocyclic Carbenes
LP Ho, A Nasr, PG Jones, A Altun, F Neese, G Bistoni, M Tamm
Chemistry–A European Journal 24 (71), 18922-18932, 2018
582018
Systém momentálně nemůže danou operaci provést. Zkuste to znovu později.
Články 1–20