| # | Title | Journal | Year | Citations |
|---|
| 1 | γ-Valerolactone—a sustainable liquid for energy and carbon-based chemicals | Green Chemistry | 2008 | 864 |
| 2 | Innovations and Green Chemistry | Chemical Reviews | 2007 | 616 |
| 3 | Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications | Chemical Reviews | 2012 | 559 |
| 4 | Integration of Homogeneous and Heterogeneous Catalytic Processes for a Multi-step Conversion of Biomass: From Sucrose to Levulinic Acid, γ-Valerolactone, 1,4-Pentanediol, 2-Methyl-tetrahydrofuran, and Alkanes | Topics in Catalysis | 2008 | 427 |
| 5 | Solvents from nature | Green Chemistry | 2008 | 309 |
| 6 | Capture of hydroxymethylene and its fast disappearance through tunnelling | Nature | 2008 | 264 |
| 7 | Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report) | Pure and Applied Chemistry | 2014 | 225 |
| 8 | Complexes of surfactants with oppositely charged polymers at surfaces and in bulk | Advances in Colloid and Interface Science | 2010 | 219 |
| 9 | Recent Advances in Sensing Applications of Graphene Assemblies and Their Composites | Advanced Functional Materials | 2017 | 209 |
| 10 | MARVEL: measured active rotational–vibrational energy levels | Journal of Molecular Spectroscopy | 2007 | 198 |
| 11 | An Experimental Design Method Leading to Chemical Turing Patterns | Science | 2009 | 197 |
| 12 | The fourth age of quantum chemistry: molecules in motion | Physical Chemistry Chemical Physics | 2012 | 196 |
| 13 | Microwave-assisted conversion of carbohydrates to levulinic acid: an essential step in biomass conversion | Green Chemistry | 2013 | 188 |
| 14 | A new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid–vapor interface of water | Journal of Computational Chemistry | 2008 | 181 |
| 15 | Toward black-box-type full- and reduced-dimensional variational (ro)vibrational computations | Journal of Chemical Physics | 2009 | 180 |
| 16 | Columbus—a program system for advanced multireference theory calculations | Wiley Interdisciplinary Reviews: Computational Molecular Science | 2011 | 171 |
| 17 | Gamma-valerolactone-based solvents | Tetrahedron | 2010 | 160 |
| 18 | Time-resolved mass concentration, composition and sources of aerosol particles in a metropolitan underground railway station | Atmospheric Environment | 2007 | 153 |
| 19 | Huntingtin exon 1 fibrils feature an interdigitated β-hairpin–based polyglutamine core | Proceedings of the National Academy of Sciences of the United States of America | 2016 | 143 |
| 20 | Chemical characterisation of humic-like substances from urban, rural and tropical biomass burning environments using liquid chromatography with UV/vis photodiode array detection and electrospray ionisation mass spectrometry | Environmental Chemistry | 2012 | 142 |
| 21 | Study on the leaching of phthalates from polyethylene terephthalate bottles into mineral water | Science of the Total Environment | 2013 | 139 |
| 22 | Revealing a double-inversion mechanism for the F−+CH3Cl SN2 reaction | Nature Communications | 2015 | 134 |
| 23 | Molecular Aggregates in Aqueous Solutions of Bile Acid Salts. Molecular Dynamics Simulation Study | Journal of Physical Chemistry B | 2007 | 132 |
| 24 | Carbon Nanomaterial Based Biosensors for Non-Invasive Detection of Cancer and Disease Biomarkers for Clinical Diagnosis | Sensors | 2017 | 132 |
| 25 | Highly active copper-catalysts for azide-alkynecycloaddition | Dalton Transactions | 2010 | 128 |
| 26 | Efficient catalytic hydrogenation of levulinic acid: a key step in biomass conversion | Green Chemistry | 2012 | 128 |
| 27 | Selective Conversion of Levulinic and Formic Acids to γ-Valerolactone with the Shvo Catalyst | Organometallics | 2014 | 128 |
| 28 | A systematic development of a polarizable potential of water | Journal of Chemical Physics | 2013 | 127 |
| 29 | Preparation of Monodisperse Poly(N-isopropylacrylamide) Microgel Particles with Homogenous Cross-Link Density Distribution | Langmuir | 2011 | 122 |
| 30 | Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond | Journal of Quantitative Spectroscopy and Radiative Transfer | 2017 | 122 |
| 31 | Influence of the leaving group on the dynamics of a gas-phase SN2 reaction | Nature Chemistry | 2016 | 116 |
| 32 | MARVEL: Measured active rotational–vibrational energy levels. II. Algorithmic improvements | Journal of Quantitative Spectroscopy and Radiative Transfer | 2012 | 111 |
| 33 | Dual Labeling of Biomolecules by Using Click Chemistry: A Sequential Approach | Angewandte Chemie - International Edition | 2009 | 110 |
| 34 | On the design principles of peptide–drug conjugates for targeted drug delivery to the malignant tumor site | Beilstein Journal of Organic Chemistry | 2018 | 110 |
| 35 | Benchmarking Coupled Cluster Methods on Valence Singlet Excited States | Journal of Chemical Theory and Computation | 2014 | 109 |
| 36 | Quantum chemistry in parallel with PQS | Journal of Computational Chemistry | 2009 | 104 |
| 37 | Sampling artefacts, concentration and chemical composition of fine water-soluble organic carbon and humic-like substances in a continental urban atmospheric environment | Atmospheric Environment | 2007 | 101 |
| 38 | Efficient copper-free Sonogashira coupling of aryl chlorides with palladium on charcoal | Chemical Communications | 2008 | 100 |
| 39 | Impact of pNIPAM Microgel Size on Its Ability To Stabilize Pickering Emulsions | Langmuir | 2014 | 100 |
| 40 | Rotating full- and reduced-dimensional quantum chemical models of molecules | Journal of Chemical Physics | 2011 | 97 |
| 41 | Reaction Dynamics of Methane with F, O, Cl, and Br on ab Initio Potential Energy Surfaces | Journal of Physical Chemistry A | 2014 | 96 |
| 42 | Role of iodine oxoacids in atmospheric aerosol nucleation | Science | 2021 | 94 |
| 43 | The Paf1 complex represses small-RNA-mediated epigenetic gene silencing | Nature | 2015 | 92 |
| 44 | Recent trends in total reflection X-ray fluorescence spectrometry for biological applications | Analytica Chimica Acta | 2009 | 91 |
| 45 | Benchmark Studies on the Building Blocks of DNA. 1. Superiority of Coupled Cluster Methods in Describing the Excited States of Nucleobases in the Franck–Condon Region | Journal of Physical Chemistry A | 2012 | 91 |
| 46 | Vibrational energy levels with arbitrary potentials using the Eckart-Watson Hamiltonians and the discrete variable representation | Journal of Chemical Physics | 2007 | 90 |
| 47 | Hygroscopic growth and measured and modeled critical super-saturations of an atmospheric HULIS sample | Geophysical Research Letters | 2007 | 89 |
| 48 | Theoretical interpretation of Grimme’s spin-component-scaled second order Møller-Plesset theory | Journal of Chemical Physics | 2006 | 88 |
| 49 | Direct sample introduction of wines in graphite furnace atomic absorption spectrometry for the simultaneous determination of arsenic, cadmium, copper and lead content | Talanta | 2008 | 88 |
| 50 | Precision Measurements and Computations of Transition Energies in Rotationally Cold Triatomic Hydrogen Ions up to the Midvisible Spectral Range | Physical Review Letters | 2012 | 88 |
