| # | Title | Journal | Year | Citations |
|---|
| 1 | Crystal structure refinement withSHELXL | Acta Crystallographica Section C, Structural Chemistry | 2015 | 30,441 |
| 2 | SHELXT– Integrated space-group and crystal-structure determination | Acta Crystallographica Section A: Foundations and Advances | 2015 | 18,933 |
| 3 | All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins† | Journal of Physical Chemistry B | 1998 | 12,915 |
| 4 | Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions | Journal of Physical Chemistry B | 2009 | 12,475 |
| 5 | First principles methods using CASTEP | Zeitschrift Fur Kristallographie - Crystalline Materials | 2005 | 9,458 |
| 6 | The ORCA program system | Wiley Interdisciplinary Reviews: Computational Molecular Science | 2012 | 9,098 |
| 7 | The Optical Properties of Metal Nanoparticles: The Influence of Size, Shape, and Dielectric Environment | Journal of Physical Chemistry B | 2003 | 9,036 |
| 8 | Challenges for Rechargeable Li Batteries | Chemistry of Materials | 2010 | 8,933 |
| 9 | The use of conductivity measurements in organic solvents for the characterisation of coordination compounds | Coordination Chemistry Reviews | 1971 | 8,738 |
| 10 | Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode | Journal of Physical Chemistry B | 2004 | 8,672 |
| 11 | Estimation of the surface free energy of polymers | Journal of Applied Polymer Science | 1969 | 7,749 |
| 12 | The Cambridge Structural Database | Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials | 2016 | 7,159 |
| 13 | Ultrahigh electron mobility in suspended graphene | Solid State Communications | 2008 | 6,963 |
| 14 | The surface science of titanium dioxide | Surface Science Reports | 2003 | 6,917 |
| 15 | Phospho‐olivines as Positive‐Electrode Materials for Rechargeable Lithium Batteries | Journal of the Electrochemical Society | 1997 | 6,885 |
| 16 | Aggregation-induced emission of 1-methyl-1,2,3,4,5-pentaphenylsilole | Chemical Communications | 2001 | 6,387 |
| 17 | Raman spectroscopy of graphene and graphite: Disorder, electron–phonon coupling, doping and nonadiabatic effects | Solid State Communications | 2007 | 6,322 |
| 18 | Chitin and chitosan: Properties and applications | Progress in Polymer Science | 2006 | 6,205 |
| 19 | Constitution of Binary Alloys | Journal of the Electrochemical Society | 1958 | 6,114 |
| 20 | GROMACS 3.0: a package for molecular simulation and trajectory analysis | Journal of Molecular Modeling | 2001 | 6,085 |
| 21 | Polymer/layered silicate nanocomposites: a review from preparation to processing | Progress in Polymer Science | 2003 | 6,062 |
| 22 | TiO2 photocatalysis and related surface phenomena | Surface Science Reports | 2008 | 5,758 |
| 23 | Alginate: Properties and biomedical applications | Progress in Polymer Science | 2012 | 5,658 |
| 24 | 2D metal carbides and nitrides (MXenes) for energy storage | Nature Reviews Materials | 2017 | 5,261 |
| 25 | A review of chitin and chitosan applications | Reactive and Functional Polymers | 2000 | 4,980 |
| 26 | Quantitative electron spectroscopy of surfaces: A standard data base for electron inelastic mean free paths in solids | Surface and Interface Analysis | 1979 | 4,948 |
| 27 | COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds | Journal of Physical Chemistry B | 1998 | 4,882 |
| 28 | Poly(N-isopropylacrylamide): experiment, theory and application | Progress in Polymer Science | 1992 | 4,822 |
| 29 | Surface plasmon resonance sensors: review | Sensors and Actuators B: Chemical | 1999 | 4,817 |
| 30 | A Critical Evaluation of Indentation Techniques for Measuring Fracture Toughness: I, Direct Crack Measurements | Journal of the American Ceramic Society | 1981 | 4,800 |
| 31 | Experimental Determination of the Extinction Coefficient of CdTe, CdSe, and CdS Nanocrystals | Chemistry of Materials | 2003 | 4,738 |
| 32 | Living Free-Radical Polymerization by Reversible Addition−Fragmentation Chain Transfer: The RAFT Process | Macromolecules | 1998 | 4,672 |
| 33 | The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations | Journal of Physical Chemistry B | 2007 | 4,650 |
| 34 | Ru(II) polypyridine complexes: photophysics, photochemistry, eletrochemistry, and chemiluminescence | Coordination Chemistry Reviews | 1988 | 4,615 |
| 35 | Preparation and Growth Mechanism of Gold Nanorods (NRs) Using Seed-Mediated Growth Method | Chemistry of Materials | 2003 | 4,609 |
| 36 | Relationships between the carbon-oxygen stretching frequencies of carboxylato complexes and the type of carboxylate coordination | Coordination Chemistry Reviews | 1980 | 4,584 |
| 37 | Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties | Inorganic Chemistry | 2013 | 4,516 |
| 38 | Bioceramics: From Concept to Clinic | Journal of the American Ceramic Society | 1991 | 4,330 |
| 39 | Hydrophobic, Highly Conductive Ambient-Temperature Molten Salts† | Inorganic Chemistry | 1996 | 4,226 |
| 40 | Automatic atom type and bond type perception in molecular mechanical calculations | Journal of Molecular Graphics and Modelling | 2006 | 4,173 |
| 41 | Trends in the Exchange Current for Hydrogen Evolution | Journal of the Electrochemical Society | 2005 | 4,054 |
| 42 | (CdSe)ZnS Core−Shell Quantum Dots: Synthesis and Characterization of a Size Series of Highly Luminescent Nanocrystallites | Journal of Physical Chemistry B | 1997 | 3,916 |
| 43 | Calculated Absorption and Scattering Properties of Gold Nanoparticles of Different Size, Shape, and Composition: Applications in Biological Imaging and Biomedicine | Journal of Physical Chemistry B | 2006 | 3,896 |
| 44 | Composites reinforced with cellulose based fibres | Progress in Polymer Science | 1999 | 3,779 |
| 45 | Software update: the ORCA program system, version 4.0 | Wiley Interdisciplinary Reviews: Computational Molecular Science | 2018 | 3,771 |
| 46 | Novel solvent properties of choline chloride/urea mixturesElectronic supplementary information (ESI) available: spectroscopic data. See http://www.rsc.org/suppdata/cc/b2/b210714g/ | Chemical Communications | 2003 | 3,741 |
| 47 | 2D transition metal dichalcogenides | Nature Reviews Materials | 2017 | 3,689 |
| 48 | Biodegradable polymers as biomaterials | Progress in Polymer Science | 2007 | 3,688 |
| 49 | Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types | Journal of Physical Chemistry B | 2010 | 3,676 |
| 50 | ANALYSIS OF RECENT MEASUREMENTS OF THE VISCOSITY OF GLASSES | Journal of the American Ceramic Society | 1925 | 3,654 |
| 51 | Ceramic Fuel Cells | Journal of the American Ceramic Society | 1993 | 3,648 |
| 52 | Defects in epitaxial multilayers I. Misfit dislocations | Journal of Crystal Growth | 1974 | 3,598 |
| 53 | Theory of Microphase Separation in Block Copolymers | Macromolecules | 1980 | 3,586 |
| 54 | Promise and reality of post-lithium-ion batteries with high energy densities | Nature Reviews Materials | 2016 | 3,562 |
| 55 | Spectral Properties and Relaxation Dynamics of Surface Plasmon Electronic Oscillations in Gold and Silver Nanodots and Nanorods | Journal of Physical Chemistry B | 1999 | 3,554 |
| 56 | Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides† | Journal of Physical Chemistry B | 2001 | 3,513 |
| 57 | A New Class of Polymers: Starburst-Dendritic Macromolecules | Polymer Journal | 1985 | 3,455 |
| 58 | Aggregation-induced emission: phenomenon, mechanism and applications | Chemical Communications | 2009 | 3,438 |
| 59 | Ferroelectric Ceramics: History and Technology | Journal of the American Ceramic Society | 1999 | 3,415 |
| 60 | Crystallographic Computing System JANA2006: General features | Zeitschrift Fur Kristallographie - Crystalline Materials | 2014 | 3,399 |
| 61 | Analysis of nanoparticle delivery to tumours | Nature Reviews Materials | 2016 | 3,393 |
| 62 | Why Are There so Few Magnetic Ferroelectrics? | Journal of Physical Chemistry B | 2000 | 3,289 |
| 63 | Engineering coordination polymers towards applications | Dalton Transactions | 2003 | 3,279 |
| 64 | Single Sheet Functionalized Graphene by Oxidation and Thermal Expansion of Graphite | Chemistry of Materials | 2007 | 3,276 |
| 65 | Beware of q2! | Journal of Molecular Graphics and Modelling | 2002 | 3,216 |
| 66 | Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces | ChemCatChem | 2011 | 3,208 |
| 67 | Ultrathin Epitaxial Graphite: 2D Electron Gas Properties and a Route toward Graphene-based Nanoelectronics | Journal of Physical Chemistry B | 2004 | 3,179 |
| 68 | Functionalized Single Graphene Sheets Derived from Splitting Graphite Oxide | Journal of Physical Chemistry B | 2006 | 3,173 |
| 69 | Covalent radii revisited | Dalton Transactions | 2008 | 3,155 |
| 70 | NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist | Organometallics | 2010 | 3,142 |
| 71 | Polymer Nanocomposites Containing Carbon Nanotubes | Macromolecules | 2006 | 3,134 |
| 72 | Guidelines for Synthesis and Processing of Two-Dimensional Titanium Carbide (Ti3C2Tx MXene) | Chemistry of Materials | 2017 | 3,129 |
| 73 | Solar Energy Conversion by Dye-Sensitized Photovoltaic Cells | Inorganic Chemistry | 2005 | 3,119 |
| 74 | Hydrogels in drug delivery: Progress and challenges | Polymer | 2008 | 3,081 |
| 75 | Layer-by-Layer Assembly of Ultrathin Composite Films from Micron-Sized Graphite Oxide Sheets and Polycations | Chemistry of Materials | 1999 | 3,066 |
| 76 | Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements | Journal of Molecular Modeling | 2007 | 3,060 |
| 77 | Lithium battery chemistries enabled by solid-state electrolytes | Nature Reviews Materials | 2017 | 3,057 |
| 78 | The return of a forgotten polymer—Polycaprolactone in the 21st century | Progress in Polymer Science | 2010 | 3,051 |
| 79 | Force measurements with the atomic force microscope: Technique, interpretation and applications | Surface Science Reports | 2005 | 3,040 |
| 80 | Gas Adsorption Characterization of Ordered Organic−Inorganic Nanocomposite Materials | Chemistry of Materials | 2001 | 3,036 |
| 81 | Structure of Graphite Oxide Revisited | Journal of Physical Chemistry B | 1998 | 3,026 |
| 82 | A Literature Review of Poly(Lactic Acid) | Journal of Polymers and the Environment | 2001 | 2,996 |
| 83 | Biocomposites reinforced with natural fibers: 2000–2010 | Progress in Polymer Science | 2012 | 2,982 |
| 84 | Graphene/Polymer Nanocomposites | Macromolecules | 2010 | 2,979 |
| 85 | Recent advances in graphene based polymer composites | Progress in Polymer Science | 2010 | 2,949 |
| 86 | Polymerization of Methyl Methacrylate with the Carbon Tetrachloride/Dichlorotris- (triphenylphosphine)ruthenium(II)/Methylaluminum Bis(2,6-di-tert-butylphenoxide) Initiating System: Possibility of Living Radical Polymerization | Macromolecules | 1995 | 2,942 |
| 87 | Controlled/living radical polymerization: Features, developments, and perspectives | Progress in Polymer Science | 2007 | 2,906 |
| 88 | Electrochemical Polarization | Journal of the Electrochemical Society | 1957 | 2,900 |
| 89 | PLATONSQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors | Acta Crystallographica Section C, Structural Chemistry | 2015 | 2,887 |
| 90 | Polymer nanotechnology: Nanocomposites | Polymer | 2008 | 2,871 |
| 91 | Heteropoly and Isopoly Oxometalates | Inorganic Chemistry Concepts | 1983 | 2,861 |
| 92 | Molpro: a general‐purpose quantum chemistry program package | Wiley Interdisciplinary Reviews: Computational Molecular Science | 2012 | 2,852 |
| 93 | Polymer Electrolyte Fuel Cell Model | Journal of the Electrochemical Society | 1991 | 2,848 |
| 94 | Modeling of Galvanostatic Charge and Discharge of the Lithium/Polymer/Insertion Cell | Journal of the Electrochemical Society | 1993 | 2,832 |
| 95 | Anisotropic Metal Nanoparticles: Synthesis, Assembly, and Optical Applications | Journal of Physical Chemistry B | 2005 | 2,820 |
| 96 | Designing hydrogels for controlled drug delivery | Nature Reviews Materials | 2016 | 2,817 |
| 97 | An Overview of Polylactides as Packaging Materials | Macromolecular Bioscience | 2004 | 2,810 |
| 98 | Safe and Convenient Procedure for Solvent Purification | Organometallics | 1996 | 2,769 |
| 99 | Viscoelastic Properties of Polymers | Journal of the Electrochemical Society | 1961 | 2,761 |
| 100 | Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations | Journal of Physical Chemistry B | 2008 | 2,756 |
