| # | Title | Journal | Year | Citations |
|---|
| 1 | Multivariate data analysis in pharmaceutics: A tutorial review | International Journal of Pharmaceutics | 2011 | 432 |
| 2 | The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase | Dalton Transactions | 2012 | 429 |
| 3 | Transition Metal‐Catalyzed CH Activation of Indoles | Advanced Synthesis and Catalysis | 2015 | 378 |
| 4 | Allenes from Cyclopropanes and Their Use in Organic SynthesisRecent Developments | Chemical Reviews | 2003 | 355 |
| 5 | Phenols from Lignin | Chemical Engineering and Technology | 2008 | 353 |
| 6 | Towards a Lignincellulosic Biorefinery: Direct One-Step Conversion of Lignin to Hydrogen-Enriched Biofuel | Energy & Fuels | 2008 | 306 |
| 7 | Analysis of two partial-least-squares algorithms for multivariate calibration | Chemometrics and Intelligent Laboratory Systems | 1987 | 298 |
| 8 | Microemulsions — phase equilibria characterization, structures, applications and chemical reactions | Advances in Colloid and Interface Science | 1996 | 290 |
| 9 | Homoleptic Rare-Earth Metal Complexes Containing Ln−C σ-Bonds | Chemical Reviews | 2010 | 258 |
| 10 | Agglomeration and sedimentation of TiO2 nanoparticles in cell culture medium | Colloids and Surfaces B: Biointerfaces | 2009 | 257 |
| 11 | Deep marine biosphere fuelled by increasing organic matter availability during burial and heating | Nature | 1997 | 254 |
| 12 | Colour stability of anthocyanins in aqueous solutions at various pH values | Food Chemistry | 2005 | 243 |
| 13 | Biomarker discovery in mass spectral profiles by means of selectivity ratio plot | Chemometrics and Intelligent Laboratory Systems | 2009 | 231 |
| 14 | Colour and stability of pure anthocyanins influenced by pH including the alkaline region | Food Chemistry | 1998 | 228 |
| 15 | Rare-Earth Metals and Aluminum Getting Close in Ziegler-Type Organometallics | | 2006 | 207 |
| 16 | Quantitative Structure−Activity Relationships of Ruthenium Catalysts for Olefin Metathesis | Journal of the American Chemical Society | 2006 | 202 |
| 17 | Alkylthiolation for the determination of double-bond positions in linear alkenes | Journal of Chromatography A | 1987 | 194 |
| 18 | A general-purpose program for multivariate data analysis | Chemometrics and Intelligent Laboratory Systems | 1987 | 193 |
| 19 | Maturity determination of organic matter in coals using the methylphenanthrene distribution | Geochimica Et Cosmochimica Acta | 1987 | 191 |
| 20 | The Flavonoids of Tomatoes | Journal of Agricultural and Food Chemistry | 2008 | 178 |
| 21 | Cationic Rare‐Earth‐Metal Half‐Sandwich Complexes for the Living trans‐1,4‐Isoprene Polymerization | Angewandte Chemie - International Edition | 2008 | 175 |
| 22 | Quantitative analysis in diffuse reflectance spectrometry: A modified Kubelka-Munk equation | Vibrational Spectroscopy | 1995 | 173 |
| 23 | Challenges in Engineering Spin Crossover: Structures and Magnetic Properties of Six Alcohol Solvates of Iron(II) Tris(2-picolylamine) Dichloride | Angewandte Chemie - International Edition | 2004 | 167 |
| 24 | Critical Point in a Fluid of Charged Hard Spheres | Physical Review Letters | 1976 | 166 |
| 25 | Intramolecular DNA Coiling Mediated by a Metallo-Supramolecular Cylinder | Angewandte Chemie - International Edition | 2001 | 166 |
| 26 | Flavonoids from black chokeberries, Aronia melanocarpa | Journal of Food Composition and Analysis | 2005 | 165 |
| 27 | Interpretation of latent-variable regression models | Chemometrics and Intelligent Laboratory Systems | 1989 | 157 |
| 28 | Flavonoids from red onion (Allium cepa) | Phytochemistry | 1998 | 157 |
| 29 | Spectra of water in the near- and mid-infrared region | Vibrational Spectroscopy | 1994 | 148 |
| 30 | Simple and Highly Z-Selective Ruthenium-Based Olefin Metathesis Catalyst | Journal of the American Chemical Society | 2013 | 145 |
| 31 | Homoleptic Rare‐Earth Metal(III) Tetramethylaluminates: Structural Chemistry, Reactivity, and Performance in Isoprene Polymerization | Chemistry - A European Journal | 2007 | 143 |
| 32 | Syntheses, crystal structures and magnetic properties of copper(ii) dicyanamide complexes; dinuclear, chain and ladder compounds | Dalton Transactions RSC | 2002 | 140 |
| 33 | Organic acids and inorganic ions in waters from petroleum reservoirs, Norwegian continental shelf: a multivariate statistical analysis and comparison with American reservoir formation waters | Applied Geochemistry | 1991 | 138 |
| 34 | Adhesion force between cyclopentane hydrates and solid surface materials | Journal of Colloid and Interface Science | 2010 | 137 |
| 35 | Conjugated Ynones in Organic Synthesis | Chemical Reviews | 2019 | 134 |
| 36 | Organic acids from source rock maturation: generation potentials, transport mechanisms and relevance for mineral diagenesis | Applied Geochemistry | 1993 | 129 |
| 37 | Alkylthiolation for the determination of double-bond position in unsaturated fatty acid esters | Chemistry and Physics of Lipids | 1981 | 127 |
| 38 | Metal−Phosphine Bond Strengths of the Transition Metals: A Challenge for DFT | Journal of Physical Chemistry A | 2009 | 127 |
| 39 | A novel variable selection approach that iteratively optimizes variable space using weighted binary matrix sampling | Analyst, The | 2014 | 127 |
| 40 | Resolution of strongly overlapping two-way multicomponent data by means of heuristic evolving latent projections | Journal of Chemometrics | 1993 | 126 |
| 41 | Adiabatic and vertical carbon 1s ionization energies in representative small molecules | Journal of Electron Spectroscopy and Related Phenomena | 2002 | 122 |
| 42 | Biochemometrics for Natural Products Research: Comparison of Data Analysis Approaches and Application to Identification of Bioactive Compounds | Journal of Natural Products | 2016 | 122 |
| 43 | Partial molal volumes and isentropic partial molal compressibilities of surface-active agents in aqueous solution | Journal of Colloid and Interface Science | 1978 | 121 |
| 44 | Automated in Silico Design of Homogeneous Catalysts | ACS Catalysis | 2020 | 119 |
| 45 | “Ionic Carbenes”: Synthesis, Structural Characterization, and Reactivity of Rare-Earth Metal Methylidene Complexes | Journal of the American Chemical Society | 2006 | 116 |
| 46 | Isolation and identification of flavonoids, including flavone rotamers, from the herbal drug ‘crataegi folium cum flore’ (hawthorn) | Phytochemical Analysis | 2005 | 113 |
| 47 | A new procedure for Roothaan's symmetry-restricted open-shell SCF method | Molecular Physics | 1976 | 111 |
| 48 | Missing values in principal component analysis | Chemometrics and Intelligent Laboratory Systems | 1998 | 110 |
| 49 | Three one-dimensional systems with end-to-end dicyanamide bridges between copper(ii) centres: structural and magnetic properties | Dalton Transactions RSC | 2002 | 110 |
| 50 | Computational methods and tools to predict cytochrome P450 metabolism for drug discovery | Chemical Biology and Drug Design | 2019 | 109 |
