Distribuzione geografica
Continente #
NA - Nord America 640
EU - Europa 525
AS - Asia 232
OC - Oceania 2
SA - Sud America 2
Totale 1.401
Nazione #
US - Stati Uniti d'America 640
IE - Irlanda 245
IT - Italia 154
HK - Hong Kong 78
VN - Vietnam 75
SG - Singapore 56
SE - Svezia 31
FI - Finlandia 30
RU - Federazione Russa 18
CN - Cina 16
DE - Germania 15
GB - Regno Unito 8
UA - Ucraina 7
BE - Belgio 5
FR - Francia 3
AU - Australia 2
BR - Brasile 2
CH - Svizzera 2
GR - Grecia 2
IR - Iran 2
KR - Corea 2
LB - Libano 2
AT - Austria 1
CZ - Repubblica Ceca 1
EE - Estonia 1
NL - Olanda 1
RO - Romania 1
TR - Turchia 1
Totale 1.401
Città #
Dublin 245
Chandler 159
Hong Kong 78
Dong Ket 75
Medford 59
Princeton 59
Lawrence 55
Altamura 54
San Mateo 51
Perugia 43
Singapore 33
Boardman 27
San Paolo di Civitate 22
Ann Arbor 16
Andover 13
Helsinki 12
Wilmington 12
Beijing 9
Essen 8
Redmond 8
Bologna 6
Des Moines 6
Brussels 4
Los Angeles 4
New York 4
Norwalk 4
Falls Church 3
Jacksonville 3
Pisa 3
Assisi 2
Isfahan 2
Lappeenranta 2
Milan 2
Redwood City 2
Saint Petersburg 2
West Jordan 2
Amsterdam 1
Athens 1
Beirut 1
Chicago 1
Council Bluffs 1
Frankfurt Am Main 1
Heverlee 1
Hunedoara 1
Ludwigshafen 1
Moscow 1
Nuremberg 1
Olomouc 1
Shanghai 1
Siena 1
Sydney 1
Tallinn 1
Tappahannock 1
Woodbridge 1
Totale 1.107
Nome #
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 96
13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes 86
Selectively measuring π back-donation in gold(I) complexes by NMR spectroscopy 81
Charge-displacement analysis via natural orbitals for chemical valence: Charge transfer effects in coordination chemistry 58
Advances in Charge Displacement Analysis 54
When the Tolman electronic parameter fails: a comparative DFT and charge displacement study of [(L)Ni(CO)₃](0/-) and [(L)Au(CO)](0/+) 48
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes 47
Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes 47
Strong electron-donating ligands accelerate the protodeauration step in gold(I)-catalyzed reactions: a quantitative understanding of the ligand effect 44
Disentanglement of donation and back-donation effects on experimental observables. A case study for gold-ethyne complexes 41
The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes 41
Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective 39
Cover Feature: London Dispersion Interactions in Pnictogen Cations [{ECl}2 ]$mathplus$ and [E=E]2$mathplus$ (E=P, As, Sb) Supported by Anionic N -Heterocyclic Carbenes (Chem. Eur. J. 71/2018) 38
Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene–gold catalysts 30
NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure 28
Quantitative assessment of the carbocation/carbene character of the gold-carbene bond 28
π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis 27
Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process 27
Disentanglement of Donation and Back-Donation Effects on Experimental Observables: A Case Study of Gold-Ethyne Complexes 27
Dispersion Forces Drive the Formation of Uranium-Alkane Adducts 27
A Combined Spectroscopic and Computational Study on the Mechanism of Iron-Catalyzed Aminofunctionalization of Olefins Using Hydroxylamine Derived N-O Reagent as the "amino" Source and "oxidant" 26
Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers 25
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework 25
Computational Design of Near-Infrared Fluorescent Organic Dyes Using an Accurate New Wave Function Approach 23
Extrapolation to the Limit of a Complete Pair Natural Orbital Space in Local Coupled-Cluster Calculations 22
Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster Calculations 20
Taming secondary benzylic cations in catalytic asymmetric SN1 reactions 18
Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study 17
Harnessing the ambiphilicity of silyl nitronates in a catalytic asymmetric approach to aliphatic β3-amino acids 15
Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions 15
A New Ligand Design Based on London Dispersion Empowers Chiral Bismuth-Rhodium Paddlewheel Catalysts 14
London dispersion effects in the coordination and activation of alkanes in σ-complexes: A local energy decomposition study 14
Unraveling individual host–guest interactions in molecular recognition from first principles quantum mechanics: Insights into the nature of nicotinic acetylcholine receptor agonist binding 13
Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method 13
Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study 13
Mechanism of Nitrous Oxide Activation in C(sp2)−O Bond Formation Reactions Catalyzed by Nickel Complexes 12
Local energy decomposition of coupled-cluster interaction energies: Interpretation, benchmarks, and comparison with symmetry-adapted perturbation theory 12
Toward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster Theory 12
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods 11
Understanding the Nature and Properties of Hydrogen-Hydrogen Bonds: The Stability of a Bulky Phosphatetrahedrane as a Case Study 11
Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework 11
Scalable and Highly Diastereo- and Enantioselective Catalytic Diels-Alder Reaction of α,β-Unsaturated Methyl Esters 11
Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes 11
Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study 11
Open-Shell Variant of the London Dispersion-Corrected Hartree-Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction Energies 11
Catalytic asymmetric synthesis of cannabinoids and menthol from neral 10
London Dispersion Interactions in Pnictogen Cations [ECl2]+ and [E=E]2+ (E=P, As, Sb) Supported by Anionic N-Heterocyclic Carbenes 10
Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach 10
The furan microsolvation blind challenge for quantum chemical methods: First steps 10
Hydrogenative metathesis of enynes via piano-stool ruthenium carbene complexes formed by alkyne gem-hydrogenation 10
Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: The importance of sub-valence correlation 10
Can domain-based local pair natural orbitals approaches accurately predict phosphorescence energies? 9
Taming phosphorus mononitride 9
Triple Resonance Experiments for the Rapid Detection of 103Rh NMR Shifts: A Combined Experimental and Theoretical Study into Dirhodium and Bismuth-Rhodium Paddlewheel Complexes 9
Formyltetrahydrofolate Decarbonylase Synthesizes the Active Site CO Ligand of O2-Tolerant [NiFe] Hydrogenase 9
Unveiling the complex pattern of intermolecular interactions responsible for the stability of the DNA duplex 9
Harnessing the electronic structure of active metals to lower the overpotential of the electrocatalytic oxygen evolution reaction 8
Unraveling Atomic Contributions to the London Dispersion Energy: Insights into Molecular Recognition and Reactivity 8
An induced-fit model for asymmetric organocatalytic reactions: a case study of the activation of olefins via chiral Brønsted acid catalysts 8
Redesigning donor-acceptor Stenhouse adduct photoswitches through a joint experimental and computational study 8
Strong and Confined Acids Control Five Stereogenic Centers in Catalytic Asymmetric Diels–Alder Reactions of Cyclohexadienones with Cyclopentadiene 8
Formation of Agostic Structures Driven by London Dispersion 8
Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study 8
The first microsolvation step for furans: New experiments and benchmarking strategies 8
HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems † 8
From Serendipity to Rational Design: Heteroleptic Dirhodium Amidate Complexes for Diastereodivergent Asymmetric Cyclopropanation 7
Formation of Agostic Structures Driven by London Dispersion 7
Exploring the Limits of Intramolecular London Dispersion Stabilization with Bulky Dispersion Energy Donors in Alkane Solution 6
Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster Energy 6
Elucidating the Electronic Nature of Rh‐based Paddlewheel Catalysts from 103Rh NMR Chemical Shifts: Insights from Quantum Mechanical Calculations 6
Local Energy Decomposition Analysis of London Dispersion Effects: From Simple Model Dimers to Complex Biomolecular Assemblies 5
Dimerization of confined Brønsted acids in enantioselective organocatalytic reactions 3
Organocatalytic DYKAT of Si-Stereogenic Silanes 3
Exploring the Accuracy Limits of PNO-Based Local Coupled-Cluster Calculations for Transition-Metal Complexes 1
Totale 1.521
Categoria #
all - tutte 9.550
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 9.550

Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/202021 1 0 0 1 0 2 2 3 2 9 1 0
2020/2021136 1 0 6 1 32 4 2 0 5 4 4 77
2021/2022253 5 38 1 7 5 3 2 45 53 3 21 70
2022/2023707 59 171 6 30 45 45 0 27 299 8 15 2
2023/2024280 13 24 16 0 5 14 70 3 19 11 47 58
Totale 1.521