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#TitleJournalYearCitations
1MOLCAS 7: The Next GenerationJournal of Computational Chemistry20101,485
2Core-substituted naphthalenediimidesChemical Communications2010496
3Induced magnetic fields in aromatic [n]-annulenes—interpretation of NICS tensor componentsPhysical Chemistry Chemical Physics2004425
4Photoproduction of Proton Gradients with π-Stacked Fluorophore Scaffolds in Lipid BilayersScience2006397
5Ultrafast Elementary Photochemical Processes of Organic Molecules in Liquid SolutionChemical Reviews2017327
6Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic StructureChemical Reviews2015258
7Kohn-Sham equations with constrained electron density: an iterative evaluation of the ground-state electron density of interacting moleculesChemical Physics Letters1996241
8In Vitroacetylcholinesterase inhibitory properties of thymol, carvacrol and their derivatives thymoquinone and thymohydroquinonePhytotherapy Research2007232
9Properties of the gold–sulphur interface: from self-assembled monolayers to clustersNanoscale2015226
10Ultrafast Relaxation of the Poly(3-hexylthiophene) Emission SpectrumJournal of Physical Chemistry C2011216
11The merits of the frozen-density embedding scheme to model solvatochromic shiftsJournal of Chemical Physics2005207
12Phosphoramidite Ligands in Iridium-Catalyzed Allylic SubstitutionChemistry - A European Journal2006181
13Generalization of the Kohn-Sham equations with constrained electron density formalism and its time-dependent response theory formulationInternational Journal of Quantum Chemistry2004178
14Photoinduced Symmetry‐Breaking Charge SeparationChemPhysChem2012178
15Tuning the Decay Time of Lanthanide-Based Near Infrared Luminescence from Micro- to Milliseconds through d→f Energy Transfer in Discrete Heterobimetallic ComplexesChemistry - A European Journal2005176
16Structure and properties of complex hydride perovskite materialsNature Communications2014168
17Asymmetric C(sp3)-H/C(Ar) coupling reactions. Highly enantio-enriched indolines via regiodivergent reaction of a racemic mixtureChemical Science2012161
18Vibrational Properties of Thiolate-Protected Gold NanoclustersAccounts of Chemical Research2018161
19Direct Visualization of Excited-State Symmetry Breaking Using Ultrafast Time-Resolved Infrared SpectroscopyJournal of the American Chemical Society2016157
20Ultrafast Photochemistry in LiquidsAnnual Review of Physical Chemistry2013156
21Density fitting with auxiliary basis sets from Cholesky decompositionsTheoretical Chemistry Accounts2009142
22Ultrafast Excited-State Dynamics of DNA Fluorescent Intercalators:  New Insight into the Fluorescence Enhancement MechanismJournal of the American Chemical Society2006140
23Hydrogen-Bonding-Induced Shifts of the Excitation Energies in Nucleic Acid Bases:  An Interplay between Electrostatic and Electron Density Overlap EffectsJournal of the American Chemical Society2004127
24Chiral Phase Transfer and Enantioenrichment of Thiolate-Protected Au102 ClustersJournal of the American Chemical Society2014125
25Accuracy of approximate kinetic energy functionals in the model of Kohn–Sham equations with constrained electron density: The FH⋅⋅⋅NCH complex as a test caseJournal of Chemical Physics1996123
26Synthesis Mechanisms of Organized Gold Nanoparticles: Influence of Annealing Temperature and AtmosphereCrystal Growth and Design2010122
27Universal quenching of common fluorescent probes by water and alcoholsChemical Science2021120
28Investigation of the Influence of Solute−Solvent Interactions on the Vibrational Energy Relaxation Dynamics of Large Molecules in LiquidsJournal of Physical Chemistry A2007116
29Structural Information on the Au–S Interface of Thiolate-Protected Gold Clusters: A Raman Spectroscopy StudyJournal of Physical Chemistry C2014115
30Do we know the true structure of Ge(111)c(2×8)?Physical Review Letters1992113
31Ultrafast Charge Recombination of Photogenerated Ion Pairs to an Electronic Excited StateJournal of Physical Chemistry A2002112
32Au40(SR)24 Cluster as a Chiral Dimer of 8-Electron Superatoms: Structure and Optical PropertiesJournal of the American Chemical Society2012112
33Racemization of a Chiral Nanoparticle Evidences the Flexibility of the Gold–Thiolate InterfaceJournal of the American Chemical Society2012107
34Zipper Assembly of Vectorial Rigid‐Rod π‐Stack Architectures with Red and Blue Naphthalenediimides: Toward Supramolecular Cascade n/p‐HeterojunctionsAngewandte Chemie - International Edition2008106
35Racemization of Chiral Pd2Au36(SC2H4Ph)24: Doping Increases the Flexibility of the Cluster SurfaceJournal of the American Chemical Society2014105
36Copper nanoclusters: designed synthesis, structural diversity, and multiplatform applicationsNanoscale2021105
37Optical sensitization and upconversion in discrete polynuclear chromium–lanthanide complexesCoordination Chemistry Reviews2012104
38Ultrafast Solvation Dynamics of Coumarin 153 in Imidazolium-Based Ionic LiquidsJournal of Physical Chemistry A2006102
39Evaluation of aromaticity: A new dissected NICS model based on canonical orbitalsPhysical Chemistry Chemical Physics2003100
40Link between the kinetic- and exchange-energy functionals in the generalized gradient approximationInternational Journal of Quantum Chemistry200297
41SplitGAS Method for Strong Correlation and the Challenging Case of Cr2Journal of Chemical Theory and Computation201397
42Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red rangeChemical Science201696
43An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificityEMBO Journal201195
44On the Analysis of the Cr−Cr Multiple Bond in Several Classes of Dichromium CompoundsInorganic Chemistry201092
45Looking at Photoinduced Charge Transfer Processes in the IR: Answers to Several Long-Standing QuestionsAccounts of Chemical Research201792
46A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine ComplexesJournal of the American Chemical Society201791
47DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials sciencePhysical Chemistry Chemical Physics202291
48Injection-molding versus extrusion as manufacturing technique for the preparation of biodegradable implantsEuropean Journal of Pharmaceutics and Biopharmaceutics199989
49Bimolecular Photoinduced Electron Transfer Beyond the Diffusion Limit: The Rehm–Weller Experiment Revisited with Femtosecond Time ResolutionJournal of the American Chemical Society201488
50Growing gold nanoparticles on a flexible substrate to enable simple mechanical control of their plasmonic couplingJournal of Materials Chemistry C201487