Ivan Infante
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Colloidal CsPbX3 (X = Cl, Br, I) Nanocrystals 2.0: Zwitterionic Capping Ligands for Improved Durability and Stability
F Krieg, ST Ochsenbein, S Yakunin, S Ten Brinck, P Aellen, A Süess, ...
ACS energy letters 3 (3), 641-646, 2018
The Chemical Bond between Au (I) and the Noble Gases. Comparative Study of NgAuF and NgAu+ (Ng= Ar, Kr, Xe) by Density Functional and Coupled Cluster Methods
L Belpassi, I Infante, F Tarantelli, L Visscher
Journal of the American Chemical Society 130 (3), 1048-1060, 2008
Equilibrium mercury isotope fractionation between dissolved Hg (II) species and thiol-bound Hg
JG Wiederhold, CJ Cramer, K Daniel, I Infante, B Bourdon, R Kretzschmar
Environmental Science & Technology 44 (11), 4191-4197, 2010
“Darker-than-Black” PbS quantum dots: enhancing optical absorption of colloidal semiconductor nanocrystals via short conjugated ligands
C Giansante, I Infante, E Fabiano, R Grisorio, GP Suranna, G Gigli
Journal of the American Chemical Society 137 (5), 1875-1886, 2015
On the origin of surface traps in colloidal II–VI semiconductor nanocrystals
AJ Houtepen, Z Hens, JS Owen, I Infante
Chemistry of Materials 29 (2), 752-761, 2017
Surface termination, morphology, and bright photoluminescence of cesium lead halide perovskite nanocrystals
S Ten Brinck, I Infante
ACS Energy Letters 1 (6), 1266-1272, 2016
Unexpected trends in halogen-bond based noncovalent adducts
SM Huber, E Jimenez-Izal, JM Ugalde, I Infante
Chemical Communications 48 (62), 7708-7710, 2012
On the directionality of halogen bonding
SM Huber, JD Scanlon, E Jimenez-Izal, JM Ugalde, I Infante
Physical Chemistry Chemical Physics 15 (25), 10350-10357, 2013
Epitaxially connected PbSe quantum-dot films: controlled neck formation and optoelectronic properties
CSS Sandeep, JM Azpiroz, WH Evers, SC Boehme, I Moreels, S Kinge, ...
ACS nano 8 (11), 11499-11511, 2014
Surface traps in colloidal quantum dots: a combined experimental and theoretical perspective
C Giansante, I Infante
The journal of physical chemistry letters 8 (20), 5209-5215, 2017
A Fock space coupled cluster study on the electronic structure of the UO, UO, U, and U species
I Infante, E Eliav, MJ Vilkas, Y Ishikawa, U Kaldor, L Visscher
The Journal of chemical physics 127, 124308, 2007
Rationalizing and Controlling the Surface Structure and Electronic Passivation of Cesium Lead Halide Nanocrystals
MI Bodnarchuk, SC Boehme, S ten Brinck, C Bernasconi, Y Shynkarenko, ...
ACS Energy Letters, 2019
Highly Emissive Self‐Trapped Excitons in Fully Inorganic Zero‐Dimensional Tin Halides
BM Benin, DN Dirin, V Morad, M Wörle, S Yakunin, G Rainò, O Nazarenko, ...
Angewandte Chemie International Edition 57 (35), 11329-11333, 2018
On the Nature of Actinide–and Lanthanide–Metal Bonds in Heterobimetallic Compounds
B Vlaisavljevich, P Miró, CJ Cramer, L Gagliardi, I Infante, ST Liddle
Chemistry-A European Journal 17 (30), 8424-8433, 2011
Quantum chemical calculations and experimental investigations of molecular actinide oxides
A Kovacs, RJM Konings, JK Gibson, I Infante, L Gagliardi
Chemical Reviews 115 (4), 1725-1759, 2015
Is Fullerene C60 Large Enough to Host a Multiply Bonded Dimetal?
I Infante, L Gagliardi, GE Scuseria
Journal of the American Chemical Society 130 (23), 7459-7465, 2008
How accurate are electronic structure methods for actinoid chemistry?
BB Averkiev, M Mantina, R Valero, I Infante, A Kovacs, DG Truhlar, ...
Theoretical Chemistry Accounts: Theory, Computation, and Modeling …, 2011
Ionization Energies for the Actinide Mono-and Dioxides Series, from Th to Cm: Theory versus Experiment
I Infante, A Kovacs, GL Macchia, ARM Shahi, JK Gibson, L Gagliardi
The Journal of Physical Chemistry A 114 (19), 6007-6015, 2010
On the performance of the intermediate Hamiltonian Fock-space coupled-cluster method on linear triatomic molecules: The electronic spectra of NpO, NpO, and PuO
I Infante, ASP Gomes, L Visscher
The Journal of chemical physics 125, 074301, 2006
Benchmark assessment of density functional methods on group II–VI MX (M= Zn, Cd; X= S, Se, Te) quantum dots
JM Azpiroz, JM Ugalde, I Infante
Journal of chemical theory and computation 10 (1), 76-89, 2014
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