IRIS
COLETTI, Cecilia
 Distribuzione geografica
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Continente #
NA - Nord America 3.632
EU - Europa 3.070
AS - Asia 1.937
OC - Oceania 11
SA - Sud America 7
AF - Africa 3
Continente sconosciuto - Info sul continente non disponibili 2
Totale 8.662
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Nazione #
US - Stati Uniti d'America 3.624
SG - Singapore 686
CN - Cina 683
IE - Irlanda 575
UA - Ucraina 564
IT - Italia 487
TR - Turchia 450
SE - Svezia 434
GB - Regno Unito 280
FR - Francia 202
DE - Germania 195
FI - Finlandia 129
RU - Federazione Russa 110
IN - India 81
CZ - Repubblica Ceca 22
BE - Belgio 18
ES - Italia 16
PL - Polonia 15
VN - Vietnam 12
IL - Israele 8
NZ - Nuova Zelanda 8
AT - Austria 6
CA - Canada 6
JP - Giappone 4
NL - Olanda 4
AU - Australia 3
BR - Brasile 3
CH - Svizzera 3
TW - Taiwan 3
BG - Bulgaria 2
EU - Europa 2
HK - Hong Kong 2
KG - Kirghizistan 2
KR - Corea 2
LV - Lettonia 2
MA - Marocco 2
AE - Emirati Arabi Uniti 1
AM - Armenia 1
AR - Argentina 1
BO - Bolivia 1
CL - Cile 1
CO - Colombia 1
DK - Danimarca 1
DO - Repubblica Dominicana 1
HR - Croazia 1
HU - Ungheria 1
IR - Iran 1
IS - Islanda 1
LK - Sri Lanka 1
MX - Messico 1
RO - Romania 1
RS - Serbia 1
TN - Tunisia 1
Totale 8.662
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Città #
Jacksonville 698
Chandler 629
Singapore 610
Dublin 574
Princeton 303
Izmir 242
Southend 228
Nanjing 173
Dearborn 153
Santa Clara 143
Chieti 139
Wilmington 122
Beijing 119
Cambridge 113
Altamura 101
Ann Arbor 84
Ashburn 82
Nanchang 65
Boardman 52
Tianjin 38
Shenyang 37
Woodbridge 35
Hebei 27
Kunming 27
Hangzhou 26
New York 26
Jiaxing 22
Los Angeles 22
Changsha 21
Helsinki 21
Brno 20
Houston 19
Lucca 19
Norwalk 19
Brussels 18
Grevenbroich 18
Jinan 18
Orange 18
Rome 17
Washington 17
Perugia 16
Auburn Hills 13
Kraków 13
Ciampino 12
Milan 12
Dong Ket 11
Lanzhou 11
Teramo 10
Ningbo 9
Rende 9
Seattle 9
Falls Church 8
Hefei 8
Kocaeli 8
Carbondale 7
Munich 7
Serra 7
Dallas 6
Madrid 6
Moscow 6
Redwood City 6
Taizhou 6
Zhengzhou 6
Changchun 5
Frankfurt am Main 5
Guangzhou 5
Lappeenranta 5
Pescara 5
Salerno 5
San Severo 5
Vienna 5
Andover 4
Hanover 4
Toronto 4
Atlanta 3
Avezzano 3
Feira de Santana 3
Fuzhou 3
Hamilton 3
Kaohsiung 3
Quzhou 3
Scorzè 3
Shanghai 3
Shaoxing 3
Simi Valley 3
Taiyuan 3
Tappahannock 3
Tokyo 3
Valencia 3
Amsterdam 2
Aviá 2
Bangalore 2
Bari 2
Belpasso 2
Bishkek 2
Bologna 2
Chicago 2
Fairfield 2
Fisciano 2
Fort Worth 2
Totale 5.440
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Nome #
Synthesis of 2-aryloxypropanoic acids analogues of clofibric acid and assignment of the absolute configuration by 1H NMR spectroscopy and DFT calculations 128
A database approach for materials selection for hydrogen storage in aerospace technology 127
Activation and Reactivity of a Bispidine Analogue of Cisplatin: A Theoretical Investigation 111
A Multi-Level Theoretical Study to Disclose the Binding Mechanisms of Gold(III)-Bipyridyl Compounds as Selective Aquaglyceroporin Inhibitors 111
Metal Fragment Modulation of Metallacumulene Complexes: A Density Functional Study 110
Effects of Geranyloxycinnamic Acids on COX-2 and iNOS Functionalities in LPS-Stimulated U937 Mononuclear Cells 109
Reactivity of gold(I) monocarbene complexes with protein targets: A theoretical study 102
Luminescent DyIII single ion magnets with same N6O3 donor atoms but different donor atom arrangements, ‘fac’-[DyIII(HLDL-ala)3]·8H2O and ‘mer’-[DyIII(HLDL-phe)3]·7H2O 100
``A density functional study of antitumor active platinum complexes in trans geometry with a planar ligand" 98
``Antitumor active platinum complexes in trans geometry with a planar ligand: a theoretical study" 95
Cisplatin Binding to Biological Ligands Revealed at the Encounter Complex Level by IR Action Spectroscopy 95
Binding motifs of cisplatin interaction with simple biomolecules and aminoacid targets probed by IR ion spectroscopy 95
Many-electron Sturmians applied to atom and ions in strong external fields 91
Biography of Gert D. Billing 91
Theoretical study of alkali cation-benzene complexes: Potential energy surfaces and binding energies with improved results for rubidium and cesium 87
Serine O-sulfation probed by IRMPD spectroscopy 86
Plasmi Freddi ed Aspetti Molecolari della energia da fusione 86
Aquation of the Ruthenium-Based Anticancer Drug NAMI-A: A Density Functional Study 85
“Quantum chemistry study on the coordination of substituted hydroxamic acids with zinc ion in matrix metalloproteinases” 84
Acetylene to Vinylidene rearrangement on electron rich d6 metal centers 84
``DFT study of carboplatin hydrolysis in neutral and acidic media" 83
“A density functional study of the interaction between zinc ion in metalloproteinases and substituted hydroxamic acids” 83
Stereoselectivity by Enantiomeric Inhibitors of Matrix Metalloproteinase-8: New Insights from Molecular Dynamics Simulations 83
A density functional study of the interaction between zinc ion in matrix metalloproteinases and substituted hydroxamic acids 83
“Insight into diastereospecific solvolysis of peptidyl-b-lactams: combined kinetic and conformational studies” 83
``A DFT study of carboplatin aquation and its binding to DNA" 82
Quantum dressed classical mechanics: application to the photo-absorption of pyrazine 82
Activation of carboplatin by chloride ions: a theoretical investigation 82
A Density Functional study of the differentcisplatin and transplatin binding to nucleobases and DNA 82
Hydrolysis of cis- and transplatin: structure and reactivity of the aqua complexes in a solvent free environment 81
Insight into the Electrochemical Reduction Mechanism of Pt(IV) Anticancer Complexes 81
Sensitivity of molecular vibrational dynamics to energy exchange rate constants 80
Photo-isomerisation of alkenyl complexes of platinum(II): structural, spectroscopic, kinetic and computational investigations 80
Alternative Sturmian Bases and Momentum Space Orbitals: an Application to the Hydrogen Molecular Ion 79
Cisplatin Primary Complex with l-Histidine Target Revealed by IR Multiple Photon Dissociation (IRMPD) Spectroscopy 78
Determinants of the Lead(II) Affinity in pbrR Protein: A Computational Study 78
Studies on the interaction of 4 '-geranyloxyferulic acid and nelumal A with pro-inflammatory enzymes 77
null 77
Insights into the Mechanisms of Aquaporin-3 Inhibition by Gold(III) Complexes: the Importance of Non-Coordinative Adduct Formation 77
Rate constants for energy transfer in carbon monoxyde 76
Hyperspherical Symmetry of Hydrogenic Orbitals and Recoupling Coefficients among Alternative Bases 76
Reaction-volume approach to N-particle reactions: New optimization scheme for defining the reaction volume 76
Hyperspherical Harmonics as Atomic and Molecular Orbitals in Momentum Space 75
Poly(ADP-ribose)-polymerase-catalyzed hydrolysis of NAD+: QM/MM simulation of the enzyme reaction 75
Quantum chemistry study of the coordinationof substituted hydroxamic acids with zinc ion in matrix metalloproteinases 74
A quantum-classical study of the OH + H2 reactive and inelastic collisions 74
Quantum angular momentum, projective geometry and the networks of seven and ten spins: Fano, Desargues and alternative incidence configurations 74
Effect of ring-size on the tautomerization and ionization reaction of cyclic 2 nitroalkanones. An experimental and theoretical study 73
A QM-DFT/MM study of cisPlatin interaction with DNA fragments 73
Atom-bond pairwise additive representation for cation-benzene potential energy surfaces: an ab initio validation study 73
null 73
A Density Functional study of trans- and cis-DDP hydrolysis and their complexation with nucleobases 72
Cisplatin and transplatin interaction with methionine: Bonding motifs assayed by vibrational spectroscopy in the isolated ionic complexes 72
Rhenium Allenylidenes and Their Reactivity toward Phosphines: ATheoretical Study 71
Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach 71
A density functional study of ruthenium(II) and ruthenium(III) interaction with nucleobases 70
An ab initio study of the alkali-metal cation benzene interaction. 69
Atom-Bond Pairwise Additive Representation for Halide-Benzene Potential Energy Surfaces: an Ab Initio Validation Study 69
Adsorption and Interfacial Chemistry of Pentacene on the Clean Si(100) Surface: A Density Functional Study 68
Short-lived intermediates (encounter complexes) in cisplatin ligand exchange elucidated by infrared ion spectroscopy 68
Electron-Poor Rhenium Allenylidenes and Their Reactivity toward Phosphines: A Combined Experimental and Theoretical Study. 67
Computational Investigation of IR Spectra of Electrospray Ionized Biomolecules 67
Insight into the Substitution Mechanism of Antitumor Au(I) N-Heterocyclic Carbene Complexes by Cysteine and Selenocysteine 67
Computational investigations of bioinorganic complexes: The case of calcium, gold and platinum ions 67
“Hydrolysis and platination of trans- and cis-DDP : a Density Functional study” 67
Vibrational energy transfer in molecular oxygen collisions 66
A theoretical investigation of the hydrolysis and reduction of NAMI(A)-type ruthenium complexes 66
Hypergeometric Polynomials, Hyperharmonic Discrete and Continuous Expansions: Evaluations, Interconnections, Extensions 66
Hydrogenic Orbitals in Momentum Space and Hyperspherical Harmonics. Elliptic Sturmian Basis Sets 66
Quantum-classical methods: a quantum-classical approach to diatom-diatom reactive scattering and VV energy transfer 65
Performance of DFT and MP2 Approaches for Geometry of Rhenium Allenylidenes Complexes and the Thermodynamics of Phosphines Addition 65
Quantum dressed classical mechanics: application to chemical reactions 65
Quantum-classical calculation of cross sections and rate constants for the H2+CN -> HCN + H reaction 64
Insights into diastereospecific solvolysis of peptidyl-beta-lactams: combined kinetic and conformational studies 64
Couplings and recouplings of four angular momenta: Alternative 9j symbols and spin addition diagrams 64
Spin networks and sturmian orbitals: Orthogonal complete polynomial sets in molecular quantum mechanics 64
Hyperangular Momentum: Applications to Atomic and Molecular Science 62
3nj-symbols and harmonic superposition coefficients: an icosahedral abacus 62
The d-dimensional hydrogen atom: hyperspherical harmonics as momentum space orbitals and alternative Sturmian basis sets 62
Density Functional Study of Butadiyne to Butatrienylidene Isomerization in [Ru(HC≡CC≡CH)(PMe3)2(Cp)]+ 62
Activation of carboplatin by carbonate: a theoretical investigation 62
Angular and Hyperangular Momentum Recoupling, Harmonic Superposition and Racah Polynomials. A recursive algorithm 61
A joint experimental and theoretical investigation on the oxidative coupling of resveratrol induced by copper and iron ions 61
Effect of Ring-Size on Ionization and Tautomerization Reaction of Cyclic 2-Nitroalkanones 60
Hyperspherical harmonics as Sturmian orbitals in momentum space: a systematic approach to the few-body Coulomb problem 58
Activation of Carboplatin by Carbonate: a TheoreticalInvestigation 58
Isotopic effects on vibrational energy transfer in CO 57
A DFT study on the electronic structure of Rhenium allenylidenes and their reactivity towards phosphines 57
Reactivity of transition metal allenylidene complexes with nucleophiles: a density functional study 57
Vibrational Signatures of the Naked Aqua Complexes from Platinum(II) Anticancer Drugs 57
Synthesis, Structure, Luminescence, and Magnetic Properties of a Single-Ion Magnet “mer”-[Tris(N-[(imidazol-4-yl)-methylidene]-dl-phenylalaninato)terbium(III) and Related “fac”-dl-Alaninato Derivative 56
High level theoretical study of binding and of the potential energy surface in benzene–hydride system 54
Continuous and Discrete Algorithms in Quantum Chemistry: Polynomial Sets, Spin Networks and Sturmian Orbitals 53
Influence of the intermolecular potential energy on N2-N2 inelastic collisions: A quantum-classical study 53
Combinatorial and geometrical origins of regge symmetries: Their manifestations from spin-networks to classical mechanisms, and beyond 53
Full dimensional potential energy function and calculation of state-specific properties of the CO+N2 inelastic processes within an open molecular science cloud perspective 53
Non-radical mechanisms for the uncatalyzed thermal functionalization of silicon surfaces by alkenes and alkynes: A density functional study 52
Binding of antitumor ruthenium complexes to DNA and proteins: A theoretical approach 52
Metal Complexes Containing Allenylidene andHigher Cumulenylidene Ligands: A TheoreticalPerspective 51
Hydrogenoid orbitals revisited: From Slater orbitals to Coulomb Sturmians 51
Totale 7.442
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Categoria #
all - tutte 37.082
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 37.082
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020869 0 0 0 0 0 112 210 140 43 178 172 14
2020/2021769 131 7 139 10 45 174 22 14 62 112 18 35
2021/2022714 17 24 5 171 41 12 10 56 74 17 69 218
2022/20231.891 174 264 76 198 174 396 116 119 258 22 56 38
2023/2024768 58 41 56 21 48 247 158 32 0 22 6 79
2024/20251.367 169 577 477 36 44 64 0 0 0 0 0 0
Totale 9.207