| # | Title | Journal | Year | Citations |
|---|
| 1 | General atomic and molecular electronic structure system | Journal of Computational Chemistry | 1993 | 19,020 |
| 2 | NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations | Computer Physics Communications | 2010 | 4,740 |
| 3 | Advances in molecular quantum chemistry contained in the Q-Chem 4 program package | Molecular Physics | 2015 | 2,561 |
| 4 | A Mesoporous Silica Nanosphere-Based Carrier System with Chemically Removable CdS Nanoparticle Caps for Stimuli-Responsive Controlled Release of Neurotransmitters and Drug Molecules | Journal of the American Chemical Society | 2003 | 1,618 |
| 5 | Mesoporous silica nanoparticles deliver DNA and chemicals into plants | Nature Nanotechnology | 2007 | 1,242 |
| 6 | Parallel cylindrical water nanochannels in Nafion fuel-cell membranes | Nature Materials | 2008 | 1,214 |
| 7 | Synthesis of Heterocycles via Palladium π-Olefin and π-Alkyne Chemistry | Chemical Reviews | 2004 | 1,088 |
| 8 | Synthesis of Heterocycles via Palladium-Catalyzed Oxidative Addition | Chemical Reviews | 2006 | 1,068 |
| 9 | Characterizing Ionic Liquids On the Basis of Multiple Solvation Interactions | Journal of the American Chemical Society | 2002 | 1,036 |
| 10 | Macmolplt: a graphical user interface for GAMESS | Journal of Molecular Graphics and Modelling | 1998 | 981 |
| 11 | Stimuli-Responsive Controlled-Release Delivery System Based on Mesoporous Silica Nanorods Capped with Magnetic Nanoparticles | Angewandte Chemie - International Edition | 2005 | 938 |
| 12 | Femtomolar Detection of Prostate-Specific Antigen: An Immunoassay Based on Surface-Enhanced Raman Scattering and Immunogold Labels | Analytical Chemistry | 2003 | 828 |
| 13 | A Polyamidoamine Dendrimer-Capped Mesoporous Silica Nanosphere-Based Gene Transfection Reagent | Journal of the American Chemical Society | 2004 | 806 |
| 14 | The Physical Nature of the Chemical Bond | Reviews of Modern Physics | 1962 | 805 |
| 15 | Effect of Surface Functionalization of MCM-41-Type Mesoporous Silica Nanoparticles on the Endocytosis by Human Cancer Cells | Journal of the American Chemical Society | 2006 | 779 |
| 16 | Organic Functionalization and Morphology Control of Mesoporous Silicas via a Co-Condensation Synthesis Method | Chemistry of Materials | 2003 | 734 |
| 17 | Mesoporous Silica Nanoparticles for Intracellular Delivery of Membrane-Impermeable Proteins | Journal of the American Chemical Society | 2007 | 734 |
| 18 | Vegetable oil-based polymeric materials: synthesis, properties, and applications | Green Chemistry | 2010 | 732 |
| 19 | Structure and Properties of High Stability Geminal Dicationic Ionic Liquids | Journal of the American Chemical Society | 2005 | 712 |
| 20 | Mesoporous Silica Nanoparticle-Based Double Drug Delivery System for Glucose-Responsive Controlled Release of Insulin and Cyclic AMP | Journal of the American Chemical Society | 2009 | 707 |
| 21 | Characterization of biochar from fast pyrolysis and gasification systems | Environmental Progress and Sustainable Energy | 2009 | 649 |
| 22 | Morphological evolution during epitaxial thin film growth: Formation of 2D islands and 3D mounds | Surface Science Reports | 2006 | 635 |
| 23 | THE CONSTRUCTION AND INTERPRETATION OF MCSCF WAVEFUNCTIONS | Annual Review of Physical Chemistry | 1998 | 611 |
| 24 | Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers | Nature | 2010 | 590 |
| 25 | Synthesis of 2,3-Disubstituted Indoles via Palladium-Catalyzed Annulation of Internal Alkynes | Journal of Organic Chemistry | 1998 | 581 |
| 26 | An effective fragment method for modeling solvent effects in quantum mechanical calculations | Journal of Chemical Physics | 1996 | 578 |
| 27 | Reagents for Organic Synthesis | Journal of Organometallic Chemistry | 1976 | 528 |
| 28 | Immunoassay Readout Method Using Extrinsic Raman Labels Adsorbed on Immunogold Colloids | Analytical Chemistry | 1999 | 527 |
| 29 | Use of macroreticular resins in the analysis of water for trace organic contaminants | Journal of Chromatography A | 1974 | 516 |
| 30 | Interaction of Mesoporous Silica Nanoparticles with Human Red Blood Cell Membranes: Size and Surface Effects | ACS Nano | 2011 | 493 |
| 31 | Solvent properties of the 1-butyl-3-methylimidazolium hexafluorophosphate ionic liquid | Analytical and Bioanalytical Chemistry | 2003 | 479 |
| 32 | Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitives | Journal of Chemical Physics | 1979 | 474 |
| 33 | Mesoporous Silica Nanoparticles for Reducing Hemolytic Activity Towards Mammalian Red Blood Cells | Small | 2009 | 465 |
| 34 | AuCl3-Catalyzed Synthesis of Highly Substituted Furans from 2-(1-Alkynyl)-2-alken-1-ones | Journal of the American Chemical Society | 2004 | 456 |
| 35 | High-Stability Ionic Liquids. A New Class of Stationary Phases for Gas Chromatography | Analytical Chemistry | 2003 | 455 |
| 36 | Ionic Liquids as Matrixes for Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry | Analytical Chemistry | 2001 | 453 |
| 37 | Strongly bound citrate stabilizes the apatite nanocrystals in bone | Proceedings of the National Academy of Sciences of the United States of America | 2010 | 438 |
| 38 | Inductively Coupled Plasma-Atomic Emission Spectroscopy: Prominent Lines | Applied Spectroscopy | 1979 | 427 |
| 39 | Enhancement of Molecular Fluorescence near the Surface of Colloidal Metal Films | Analytical Chemistry | 1998 | 427 |
| 40 | NWChem: Past, present, and future | Journal of Chemical Physics | 2020 | 425 |
| 41 | Use of benzynes for the synthesis of heterocycles | Organic and Biomolecular Chemistry | 2013 | 416 |
| 42 | Morphological Control of Room-Temperature Ionic Liquid Templated Mesoporous Silica Nanoparticles for Controlled Release of Antibacterial Agents | Nano Letters | 2004 | 413 |
| 43 | Ba1−xKxFe2As2<">Anisotropic thermodynamic and transport properties of single-crystallineBa1−xKxFe2As2< | Physical Review B | 2008 | 396 |
| 44 | Immobilized Ionic Liquids as High-Selectivity/High-Temperature/High-Stability Gas Chromatography Stationary Phases | Analytical Chemistry | 2005 | 388 |
| 45 | Laser Ablation of Metals: A New Method for Preparing SERS Active Colloids | Applied Spectroscopy | 1993 | 381 |
| 46 | Pt Nanoclusters Confined within Metal–Organic Framework Cavities for Chemoselective Cinnamaldehyde Hydrogenation | ACS Catalysis | 2014 | 367 |
| 47 | Making and Breaking Covalent Bonds across the Magnetic Transition in the Giant Magnetocaloric MaterialGd5(Si2Ge2) | Physical Review Letters | 2000 | 364 |
| 48 | Mesoporous silica nanoparticles: structural design and applications | Journal of Materials Chemistry | 2010 | 363 |
| 49 | The Schardinger Dextrins | Advances in Carbohydrate Chemistry | 1957 | 361 |
| 50 | Water-dispersible PEG-curcumin/amine-functionalized covalent organic framework nanocomposites as smart carriers for in vivo drug delivery | Nature Communications | 2018 | 353 |
