The intrinsic strength of the halogen bond: Electrostatic and covalent contributions described by coupled cluster theory V Oliveira, E Kraka, D Cremer Physical Chemistry Chemical Physics 18 (48), 33031-33046, 2016 | 145 | 2016 |
The many facets of chalcogen bonding: Described by vibrational spectroscopy V Oliveira, D Cremer, E Kraka The Journal of Physical Chemistry A 121 (36), 6845-6862, 2017 | 113 | 2017 |
Quantitative assessment of halogen bonding utilizing vibrational spectroscopy V Oliveira, E Kraka, D Cremer Inorganic chemistry 56 (1), 488-502, 2017 | 104 | 2017 |
Quantitative assessment of tetrel bonding utilizing vibrational spectroscopy D Sethio, V Oliveira, E Kraka Molecules 23 (11), 2763, 2018 | 92 | 2018 |
Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes V Oliveira, D Cremer Chemical Physics Letters 681, 56-63, 2017 | 83 | 2017 |
Systematic coupled cluster study of noncovalent interactions involving halogens, chalcogens, and pnicogens V Oliveira, E Kraka The Journal of Physical Chemistry A 121 (49), 9544-9556, 2017 | 82 | 2017 |
A Continuum from Halogen Bonds to Covalent Bonds: Where Do λ3 Iodanes Fit? S Yannacone, V Oliveira, N Verma, E Kraka Inorganics 7 (4), 47, 2019 | 53 | 2019 |
Metal–halogen bonding seen through the eyes of vibrational spectroscopy VP Oliveira, BL Marcial, FBC Machado, E Kraka Materials 13 (1), 55, 2019 | 31 | 2019 |
The Peculiar Role of the Au3 Unit in Aum Clusters: σ-Aromaticity of the Au5Zn+ Ion Y Li, V Oliveira, C Tang, D Cremer, C Liu, J Ma Inorganic Chemistry 56 (10), 5793-5803, 2017 | 28 | 2017 |
Pushing 3c–4e bonds to the limit: A coupled cluster study of stepwise fluorination of first-row atoms VP Oliveira, E Kraka, FBC Machado Inorganic Chemistry 58 (21), 14777-14789, 2019 | 24 | 2019 |
Halogen Bonding Involving I2 and d8 Transition-Metal Pincer Complexes M Freindorf, S Yannacone, V Oliveira, N Verma, E Kraka Crystals 11 (4), 373, 2021 | 19 | 2021 |
Odd-even effect of the number of free valence electrons on the electronic structure properties of gold-thiolate clusters Y Li, C Liu, V Oliveira, D Cremer, Z Chen, J Ma Molecular Physics 117 (9-12), 1442-1450, 2019 | 7 | 2019 |
Weak and strong π interactions between two monomers—assessed with local vibrational mode theory W Zou, M Freindorf, V Oliveira, Y Tao, E Kraka Canadian Journal of Chemistry 101 (9), 615-632, 2022 | 6 | 2022 |
Relating Bond Strength and Nature to the Thermodynamic Stability of Hypervalent Togni‐Type Iodine Compounds VP Oliveira, BL Marcial, FBC Machado, E Kraka ChemPlusChem 86 (8), 1199-1210, 2021 | 6 | 2021 |
Substituted hydrocarbon: A CCSD (T) and local vibrational mode investigation AAA Delgado, D Sethio, D Matthews, V Oliveira, E Kraka Molecular Physics 119 (21-22), e1970844, 2021 | 3 | 2021 |
Estudo teórico das contribuições energéticas envolvidas na formação dos complexos:[Mg (H2O) n-base nucleica] 2+ VP Oliveira | 1 | 2014 |
A multi‐descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π‐Conjugation versus charge effects JCV Chagas, BD Milanez, VP Oliveira, M Pinheiro Jr, LFA Ferrão, ... Journal of Computational Chemistry 45 (12), 863-877, 2024 | | 2024 |
High-Level Multireference Investigations on the Electronic States in Single-Vacancy (SV) Graphene Defects Using a Pyrene-SV Model R Nieman, VP Oliveira, B Jayee, AJA Aquino, FBC Machado, H Lischka The Journal of Physical Chemistry A 127 (40), 8287-8296, 2023 | | 2023 |
Halogen Bonding Involving I2 and d8 Transition-Metal Pincer Complexes. Crystals 2021, 11, 373 M Freindorf, S Yannacone, V Oliveira, N Verma, E Kraka s Note: MDPI stays neutral with regard to jurisdictional claims in published …, 2021 | | 2021 |
Quantum Chemical Studies of Noncovalent Interactions and Multicenter Bonds Utilizing Local Vibrational Modes V Oliveira | | 2017 |