# | Title | Journal | Year | Citations |
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1 | A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions | Journal of Chemical Physics | 2006 | 4,175 |
2 | Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking | Nature Biotechnology | 2016 | 2,802 |
3 | Advances in molecular quantum chemistry contained in the Q-Chem 4 program package | Molecular Physics | 2015 | 2,561 |
4 | Transferable Potentials for Phase Equilibria. 1. United-Atom Description ofn-Alkanes | Journal of Physical Chemistry B | 1998 | 2,480 |
5 | Graph-set analysis of hydrogen-bond patterns in organic crystals | Acta Crystallographica Section B: Structural Science | 1990 | 2,317 |
6 | Present and Future of Surface-Enhanced Raman Scattering | ACS Nano | 2020 | 2,153 |
7 | Hybrid Inorganic-Organic Mesoporous Silicates—Nanoscopic Reactors Coming of Age | Advanced Materials | 2000 | 1,499 |
8 | Contemporary Issues in Electron Transfer Research | The Journal of Physical Chemistry | 1996 | 1,474 |
9 | Crystallization by particle attachment in synthetic, biogenic, and geologic environments | Science | 2015 | 1,467 |
10 | Synthesis of Macroporous Minerals with Highly Ordered Three-Dimensional Arrays of Spheroidal Voids | | 1998 | 1,412 |
11 | Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table | Journal of Computational Chemistry | 2016 | 1,317 |
12 | Mesoporous Sieves with Unified Hybrid Inorganic/Organic Frameworks | Chemistry of Materials | 1999 | 1,235 |
13 | Enthalpy-entropy compensation phenomena in water solutions of proteins and small molecules: A ubiquitous properly of water | Biopolymers | 1970 | 1,197 |
14 | Low-barrier hydrogen bonds and enzymic catalysis | Science | 1994 | 1,100 |
15 | Printable ion-gel gate dielectrics for low-voltage polymer thin-film transistors on plastic | Nature Materials | 2008 | 1,077 |
16 | Cooperative insertion of CO2 in diamine-appended metal-organic frameworks | Nature | 2015 | 1,026 |
17 | Variational Treatment of Hydrodynamic Interaction in Polymers | Journal of Chemical Physics | 1969 | 1,012 |
18 | Multiblock Polymers: Panacea or Pandora’s Box? | Science | 2012 | 930 |
19 | Multicompartment Micelles from ABC Miktoarm Stars in Water | Science | 2004 | 928 |
20 | MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions | Chemical Science | 2016 | 858 |
21 | The big picture on nanomedicine: the state of investigational and approved nanomedicine products | Nanomedicine: Nanotechnology, Biology, and Medicine | 2013 | 837 |
22 | Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation | Journal of Physical Chemistry B | 2011 | 828 |
23 | Polymers from Renewable Resources: A Perspective for a Special Issue of Polymer Reviews | Polymer Reviews | 2008 | 808 |
24 | Functionalization of Porous Carbon Materials with Designed Pore Architecture | Advanced Materials | 2009 | 807 |
25 | Comparative Studies of Grafting and Direct Syntheses of Inorganic−Organic Hybrid Mesoporous Materials | Chemistry of Materials | 1999 | 797 |
26 | Destruction of chemical warfare agents using metal–organic frameworks | Nature Materials | 2015 | 790 |
27 | Polymerization of lactide and related cyclic esters by discrete metal complexes | Dalton Transactions RSC | 2001 | 787 |
28 | Hot-Electron Transfer from Semiconductor Nanocrystals | Science | 2010 | 775 |
29 | On the determination of Born–Oppenheimer nuclear motion wave functions including complications due to conical intersections and identical nuclei | Journal of Chemical Physics | 1979 | 768 |
30 | Nanominerals, Mineral Nanoparticles, and Earth Systems | Science | 2008 | 768 |
31 | Dioxygen Activation by Enzymes with Mononuclear Non-Heme Iron Active Sites | Chemical Reviews | 1996 | 761 |
32 | Impacts of Mesoporous Silica Nanoparticle Size, Pore Ordering, and Pore Integrity on Hemolytic Activity | Journal of the American Chemical Society | 2010 | 720 |
33 | Synthesis of Highly Ordered, Three-Dimensional, Macroporous Structures of Amorphous or Crystalline Inorganic Oxides, Phosphates, and Hybrid Composites | Chemistry of Materials | 1999 | 715 |
34 | Conditions for the definition of a strictly diabatic electronic basis for molecular systems | Journal of Chemical Physics | 1982 | 665 |
35 | OpenMolcas: From Source Code to Insight | Journal of Chemical Theory and Computation | 2019 | 661 |
36 | Colloidal Assembly: The Road from Particles to Colloidal Molecules and Crystals | Angewandte Chemie - International Edition | 2011 | 659 |
37 | Mosher ester analysis for the determination of absolute configuration of stereogenic (chiral) carbinol carbons | Nature Protocols | 2007 | 655 |
38 | Toxicity of Engineered Nanoparticles in the Environment | Analytical Chemistry | 2013 | 604 |
39 | Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics | Philosophical Transactions Series A, Mathematical, Physical, and Engineering Sciences | 2014 | 599 |
40 | Recent progress in SERS biosensing | Physical Chemistry Chemical Physics | 2011 | 598 |
41 | Porous Electrode Materials for Lithium‐Ion Batteries – How to Prepare Them and What Makes Them Special | Advanced Energy Materials | 2012 | 594 |
42 | Mechanically Activated, Catalyst-Free Polyhydroxyurethane Vitrimers | Journal of the American Chemical Society | 2015 | 593 |
43 | Photochemical Fate of Sulfa Drugs in the Aquatic Environment: Sulfa Drugs Containing Five-Membered Heterocyclic Groups | Environmental Science & Technology | 2004 | 591 |
44 | Systematic study of basis set superposition errors in the calculated interaction energy of two HF molecules | Journal of Chemical Physics | 1985 | 586 |
45 | A Highly Active Zinc Catalyst for the Controlled Polymerization of Lactide | Journal of the American Chemical Society | 2003 | 579 |
46 | Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions | Journal of Chemical Theory and Computation | 2011 | 566 |
47 | Functional representation of Liu and Siegbahn’s accurate ab initio potential energy calculations for H+H2 | Journal of Chemical Physics | 1978 | 557 |
48 | Fisetin is a senotherapeutic that extends health and lifespan | EBioMedicine | 2018 | 554 |
49 | Hierarchical nanofabrication of microporous crystals with ordered mesoporosity | Nature Materials | 2008 | 553 |
50 | Ordered Nanoporous Polymers from Polystyrene−Polylactide Block Copolymers | Journal of the American Chemical Society | 2002 | 530 |