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Inorganica Chimica Acta, ISSN 0020-1693, 01/2018, Volume 470, pp. 439 - 444
[Display omitted] •DFT investigation evidences of Cluster Core Isomerism case for species of the type H(CNR)2Pt3(μ-PH2)3.•Electronic underpinnings of... 
Journal Article
Inorganica Chimica Acta, ISSN 0020-1693, 01/2018, Volume 470, p. 439
Triangular platinum clusters with phosphido bridging ligands and 44 valence electrons may adopt two structural types with either an equilateral or isosceles... 
Solvents | Phosphides | Platinum | Triangles | Crystallization | Clusters | Ligands | Pauli exclusion principle | Electron density | Isomers | Electrons
Journal Article
Inorganica Chimica Acta, ISSN 0020-1693, 01/2018, Volume 470, p. 439
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.ica.2017.09.068... 
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 2/2008, Volume 105, Issue 6, pp. 2052 - 2057
Journal Article
Dalton Transactions, ISSN 1477-9226, 2018, Volume 47, Issue 2, pp. 394 - 408
A detailed mechanism of the I-2-induced transformation of white phosphorus into PI3 emerges from a DFT analysis. This multi-step process implies that at any... 
ACTIVATION | CRYSTAL-STRUCTURE | P5X2+ X | P-4 | COMPLEXES | CHEMISTRY | HALOGEN | ENERGIES | MOLECULES | CATIONS | CHEMISTRY, INORGANIC & NUCLEAR | Separation | Switches | Chemical bonds | Electron transfer | Atomic properties | Transformations | Demolition | Phosphines | Iodine
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 05/2018, Volume 57, Issue 9, pp. 4824 - 4827
Cationic phosphametallocene-based platinum­(II) aqua complexes were used as efficient precatalysts for the hydrolysis of aromatic and aliphatic tertiary... 
PALLADIUM(II) COMPLEXES | DPPOMF | LIGANDS | DIALKYL PHOSPHITES | PHOSPHONATION | PLATINUM(II) | CHEMISTRY | OLEFINS | METAL | METHOXYCARBONYLATION | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 12/2019, Volume 25, Issue 72, pp. 16591 - 16605
A symbiotic experimental/computational study analyzed the Ru(TPP)(NAr)2‐catalyzed one‐pot formation of indoles from alkynes and aryl azides. Thirty different... 
density functional calculations | ruthenium | indoles | porphyrin | azides | energy profiles | Ruthenium | Catalysts | Indole | Energy costs | Chemical reactions | Aromatic compounds | Bicycles | Computer applications | Indoles | Cost analysis | Reaction mechanisms | Alkynes | Conformation
Journal Article
Dalton Transactions (Cambridge, England : 2003), ISSN 1477-9226, 12/2018, Volume 47, Issue 48, pp. 17243 - 17256
This paper is a comparative outline of the potential acid–base adducts formed by an unsaturated main group or transition metal species and P atoms of... 
Chemistry
Journal Article
Crystal Growth and Design, ISSN 1528-7483, 04/2012, Volume 12, Issue 4, pp. 1762 - 1771
Journal Article
ISSN 1477-9226, 12/2018, Volume 47, Issue 48, pp. 17243 - 17256
This paper is a comparative outline of the potential acid-base adducts formed by an unsaturated main group or transition metal species and P atoms of... 
Journal Article
ISSN 1477-9226, 1/2018, Volume 47, Issue 2, pp. 394 - 48
A detailed mechanism of the I 2 -induced transformation of white phosphorus into PI 3 emerges from a DFT analysis. This multi-step process implies that at any... 
Journal Article
Dalton Transactions, ISSN 1477-9226, 01/2018, Volume 47, Issue 48, pp. 17243 - 17256
This paper is a comparative outline of the potential acid–base adducts formed by an unsaturated main group or transition metal species and P atoms of... 
Phosphorene | Transition metals | Covalence | Donors (electronic) | Two dimensional models | Atomic properties | Phosphorus | Modelling | Anchoring | Adducts
Journal Article
INORGANICA CHIMICA ACTA, ISSN 0020-1693, 01/2018, Volume 470, pp. 439 - 444
Triangular platinum clusters with phosphido bridging ligands and 44 valence electrons may adopt two structural types with either an equilateral or isosceles... 
TRIANGULAR PLATINUM | LIGANDS | METAL-CARBONYL CLUSTERS | TRIPLATINUM CLUSTER | CRYSTAL-STRUCTURE | BUILDING-BLOCKS | TRANSITION-METAL | PLATINUM CLUSTER | DINUCLEAR | DIPLATINUM COMPLEXES | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 12/2019, Volume 25, Issue 72, pp. 16438 - 16438
The targeted combination of experimental and in silico techniques permitted a good understanding of key mechanistic aspects of the one‐pot synthesis of a large... 
density functional calculations | ruthenium | indoles | porphyrin | azides | energy profiles
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 10/2015, Volume 2015, Issue 29, pp. 4885 - 4893
A combined experimental and DFT‐based theoretical analysis elucidated the influence of the axial ligand L on the catalytic activity of Ru(porphyrin)L complexes... 
Porphyrinoids | Density functional calculations | Ruthenium | Amination | Reaction mechanisms | Ligands
Journal Article
Dalton Transactions, ISSN 1477-9226, 2018, Volume 47, Issue 48, pp. 17243 - 17256
This paper is a comparative outline of the potential acid-base adducts formed by an unsaturated main group or transition metal species and P atoms of... 
CARBONYLS | LIGANDS | CRYSTAL-STRUCTURE | DIIODINE | LAYER MOS2 | CHEMISTRY | BLACK PHOSPHORUS | COORDINATION | ADDUCTS | BORANE | CHEMISTRY, INORGANIC & NUCLEAR | Physics - Chemical Physics
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 05/2019, Volume 25, Issue 25, pp. 6300 - 6305
The reactivity of ruthenium and manganese complexes bearing intact white phosphorus in the coordination sphere was investigated towards the low‐valent... 
diketiminate complexes | iron | cobalt | cyclo-P4 ligands | phosphorus | Organophosphorus compounds | Ruthenium | Metals | X-ray diffraction | Phosphorus | Iron | Cobalt | Heavy metals | Butterflies | Reaction products | Electronic structure | Tetrahedrons | Ligands | Coordination compounds | Crystal structure | Manganese
Journal Article
Stroke, ISSN 0039-2499, 04/2019, Volume 50, Issue 4, pp. 909 - 916
Journal Article
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