5.3K(top 0.1%)
papers
283.1K(top 0.1%)
citations
214(top 0.1%)
h-index
357(top 0.1%)
g-index
5.7K
all documents
295.5K
doc citations
6.8K
citing journals
5.6K
times ranked

Top Articles

#TitleJournalYearCitations
1A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactionsJournal of Chemical Physics20064,175
2Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular NetworkingNature Biotechnology20162,802
3Advances in molecular quantum chemistry contained in the Q-Chem 4 program packageMolecular Physics20152,561
4Transferable Potentials for Phase Equilibria. 1. United-Atom Description ofn-AlkanesJournal of Physical Chemistry B19982,480
5Graph-set analysis of hydrogen-bond patterns in organic crystalsActa Crystallographica Section B: Structural Science19902,317
6Present and Future of Surface-Enhanced Raman ScatteringACS Nano20202,153
7Hybrid Inorganic-Organic Mesoporous Silicates—Nanoscopic Reactors Coming of AgeAdvanced Materials20001,499
8Contemporary Issues in Electron Transfer ResearchThe Journal of Physical Chemistry19961,474
9Crystallization by particle attachment in synthetic, biogenic, and geologic environmentsScience20151,467
10Synthesis of Macroporous Minerals with Highly Ordered Three-Dimensional Arrays of Spheroidal VoidsScience19981,412
11Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic tableJournal of Computational Chemistry20161,317
12Mesoporous Sieves with Unified Hybrid Inorganic/Organic FrameworksChemistry of Materials19991,235
13Enthalpy-entropy compensation phenomena in water solutions of proteins and small molecules: A ubiquitous properly of waterBiopolymers19701,197
14Low-barrier hydrogen bonds and enzymic catalysisScience19941,100
15Printable ion-gel gate dielectrics for low-voltage polymer thin-film transistors on plasticNature Materials20081,077
16Cooperative insertion of CO2 in diamine-appended metal-organic frameworksNature20151,026
17Variational Treatment of Hydrodynamic Interaction in PolymersJournal of Chemical Physics19691,012
18Multiblock Polymers: Panacea or Pandora’s Box?Science2012930
19Multicompartment Micelles from ABC Miktoarm Stars in WaterScience2004928
20MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactionsChemical Science2016858
21The big picture on nanomedicine: the state of investigational and approved nanomedicine productsNanomedicine: Nanotechnology, Biology, and Medicine2013837
22Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of SolvationJournal of Physical Chemistry B2011828
23Polymers from Renewable Resources: A Perspective for a Special Issue of Polymer ReviewsPolymer Reviews2008808
24Functionalization of Porous Carbon Materials with Designed Pore ArchitectureAdvanced Materials2009807
25Comparative Studies of Grafting and Direct Syntheses of Inorganic−Organic Hybrid Mesoporous MaterialsChemistry of Materials1999797
26Destruction of chemical warfare agents using metal–organic frameworksNature Materials2015790
27Polymerization of lactide and related cyclic esters by discrete metal complexesDalton Transactions RSC2001787
28Hot-Electron Transfer from Semiconductor NanocrystalsScience2010775
29On the determination of Born–Oppenheimer nuclear motion wave functions including complications due to conical intersections and identical nucleiJournal of Chemical Physics1979768
30Nanominerals, Mineral Nanoparticles, and Earth SystemsScience2008768
31Dioxygen Activation by Enzymes with Mononuclear Non-Heme Iron Active SitesChemical Reviews1996761
32Impacts of Mesoporous Silica Nanoparticle Size, Pore Ordering, and Pore Integrity on Hemolytic ActivityJournal of the American Chemical Society2010720
33Synthesis of Highly Ordered, Three-Dimensional, Macroporous Structures of Amorphous or Crystalline Inorganic Oxides, Phosphates, and Hybrid CompositesChemistry of Materials1999715
34Conditions for the definition of a strictly diabatic electronic basis for molecular systemsJournal of Chemical Physics1982665
35OpenMolcas: From Source Code to InsightJournal of Chemical Theory and Computation2019661
36Colloidal Assembly: The Road from Particles to Colloidal Molecules and CrystalsAngewandte Chemie - International Edition2011659
37Mosher ester analysis for the determination of absolute configuration of stereogenic (chiral) carbinol carbonsNature Protocols2007655
38Toxicity of Engineered Nanoparticles in the EnvironmentAnalytical Chemistry2013604
39Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physicsPhilosophical Transactions Series A, Mathematical, Physical, and Engineering Sciences2014599
40Recent progress in SERS biosensingPhysical Chemistry Chemical Physics2011598
41Porous Electrode Materials for Lithium‐Ion Batteries – How to Prepare Them and What Makes Them SpecialAdvanced Energy Materials2012594
42Mechanically Activated, Catalyst-Free Polyhydroxyurethane VitrimersJournal of the American Chemical Society2015593
43Photochemical Fate of Sulfa Drugs in the Aquatic Environment:  Sulfa Drugs Containing Five-Membered Heterocyclic GroupsEnvironmental Science & Technology2004591
44Systematic study of basis set superposition errors in the calculated interaction energy of two HF moleculesJournal of Chemical Physics1985586
45A Highly Active Zinc Catalyst for the Controlled Polymerization of LactideJournal of the American Chemical Society2003579
46Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis FunctionsJournal of Chemical Theory and Computation2011566
47Functional representation of Liu and Siegbahn’s accurate ab initio potential energy calculations for H+H2Journal of Chemical Physics1978557
48Fisetin is a senotherapeutic that extends health and lifespanEBioMedicine2018554
49Hierarchical nanofabrication of microporous crystals with ordered mesoporosityNature Materials2008553
50Ordered Nanoporous Polymers from Polystyrene−Polylactide Block CopolymersJournal of the American Chemical Society2002530