Citation Impact
Citing Papers
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems
2022 Standout
Electron sharing indexes at the correlated level. Application to aromaticity calculations
2006
Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach
2006
Bond order and valence indices: A personal account
2006
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
2009
The Larger Acenes: Versatile Organic Semiconductors
2007 Standout
”Developing paradigms of chemical bonding: adaptive natural density partitioning
2008 Standout
A review of statistically-based landslide susceptibility models
2018 Standout
The Artificial Leaf
2012 Standout
Weak chemical interaction and van der Waals forces between graphene layers: A combined density functional and intermolecular perturbation theory approach
2006
Bond Order Analysis Based on the Laplacian of Electron Density in Fuzzy Overlap Space
2013
Anatomy of Bond Formation. Domain-Averaged Fermi Holes as a Tool for the Study of the Nature of the Chemical Bonding in Li2, Li4, and F2
2007
Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches
2005
A Molecular Energy Decomposition Scheme for Atoms in Molecules
2005
Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons
2005
Overlap populations, bond orders and valences for ‘fuzzy’ atoms
2003
Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis
2015
One‐electron images in real space: Natural adaptive orbitals
2015
Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer
2018 Standout
Attosecond physics
2009 StandoutNobel
N-Heterocyclic Carbenes in Late Transition Metal Catalysis
2009 Standout
Graphene-Like Two-Dimensional Materials
2013 Standout
A Combined Charge and Energy Decomposition Scheme for Bond Analysis
2009 Standout
Comparison of the AIM Delocalization Index and the Mayer and Fuzzy Atom Bond Orders
2005
Modulating excited state properties of thermally activated delayed fluorescence molecules by tuning the connecting pattern
2016
Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method
2007 StandoutNobel
Properties of Aromaticity Indices Based on the One-Electron Density Matrix
2007
Spatial prediction models for shallow landslide hazards: a comparative assessment of the efficacy of support vector machines, artificial neural networks, kernel logistic regression, and logistic model tree
2015 Standout
Why sp2‐like nanosilicons should not form: Insight from quantum chemistry
2012
Recent advances in organic thermally activated delayed fluorescence materials
2017 Standout
Ab initio energy partitioning at the correlated level
2006
Femtosecond laser control of a chemical reaction
1992 StandoutNatureNobel
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
π-Bonding and the Lone Pair Effect in Multiple Bonds Involving Heavier Main Group Elements: Developments in the New Millennium
2010 Standout
Transition Metal Catalyzed Cycloisomerizations of 1,n-Allenynes and -Allenenes
2011 Standout
Electron Delocalization Range in Atoms and on Molecular Surfaces
2016
Fragmentation and Distortion of Terpyridine-Based Spin-Crossover Complexes on Au(111)
2019 StandoutNobel
Engineering geology maps: landslides and geographical information systems
2006
Chemical bonding in transition metal carbene complexes
2005
Electron Delocalization and Aromaticity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index
2006
An electronic aromaticity index for large rings
2016
Direct Tyrosine Oxidation Using the MLCT Excited States of Rhenium Polypyridyl Complexes
2005
Multicenter Bond Indices As a New Means for the Quantitative Characterization of Homoaromaticity
2005
Discovery of hexacoordinate hypervalent carbon compounds: Density functional study
2008
Grid-based energy density analysis: Implementation and assessment
2007
Pipek–Mezey Orbital Localization Using Various Partial Charge Estimates
2014
Recommendations for the quantitative analysis of landslide risk
2013 Standout
Proton-Coupled Electron Transfer
2012 Standout
Chemiluminescent reaction between I2(D0u+) and Xe to yield XeI(B2Σ )
1985
Chemical Structures from the Analysis of Domain-Averaged Fermi Holes. The Nature of Ga−Ga Bonding in PhGaGaPh2- and (PhGaGaPh)Na2
2004
Works of Luis Laín being referenced
An orbital localization criterion based on the theory of “fuzzy” atoms
2006
Pair Population Analysis within AIM Theory
2000
Electronic Structure and Effectively Unpaired Electron Density Topology in closo-Boranes: Nonclassical Three-Center Two-Electron Bonding
2011
A decomposition of the number of effectively unpaired electrons and its physical meaning
2009
Local spin: A treatment beyond single determinant wave functions
2009
Topological population analysis from higher order densities. I. Hartree–Fock level
2000
On the Nature of C−Li Bonding in Lithiated Hydrocarbons and Lithiocarbons
2002
Energy decompositions according to physical space partitioning schemes: Treatments of the density cumulant
2007
On the nature of multicenter bonding in simple atomic clusters
2000
A study of the relationships between unpaired electron density, spin-density and cumulant matrices
2010
Correlated holes and their relationships with reduced density matrices and cumulants
2005
Topological Population Analysis from Higher Order Densities II. The Correlated Case
2002
Multicenter bonding within the AIM theory
2001
On the definition of bond orders at correlated level
2003
Reactive and inelastic processes involving I2(D 1Σ+u) with the collision partners CH4, CH3Cl, CF3Cl, and CF4
1983
Energy decompositions according to physical space partitioning schemes
2005
A study of the partitioning of the first-order reduced density matrix according to the theory of atoms in molecules
2005
Treatment of non-nuclear attractors within the theory of atoms in molecules II: Energy decompositions
2006
Third-order many-body perturbation theory for intermolecular interactions. I. Hartree-Fock level
1997
Determination of Three-Center Bond Indices from Population Analyses: A Fuzzy Atom Treatment
2005
Large Scale Rockfall Reach Susceptibility Maps in La Cabrera Sierra (Madrid) performed with GIS and Dynamic Analysis at 1:5,000
2003
Studies of Population Analysis at the Correlated Level: Determination of Three-Center Bond Indices
2004