# | Title | Journal | Year | Citations |
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1 | Avogadro: an advanced semantic chemical editor, visualization, and analysis platform | Journal of Cheminformatics | 2012 | 6,063 |
2 | Catalytic C–H functionalization by metal carbenoid and nitrenoid insertion | Nature | 2008 | 2,064 |
3 | Recent Developments in the Preparation and Chemistry of Metallacycles and Metallacages via Coordination | Chemical Reviews | 2015 | 1,540 |
4 | Catalytic Enantioselective C−H Activation by Means of Metal−Carbenoid-Induced C−H Insertion | Chemical Reviews | 2003 | 1,516 |
5 | Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table | Journal of Computational Chemistry | 2016 | 1,317 |
6 | Current Clinical and Preclinical Photosensitizers for Use in Photodynamic Therapy | Journal of Medicinal Chemistry | 2004 | 981 |
7 | High Contrast in Vitro and in Vivo Photoluminescence Bioimaging Using Near Infrared to Near Infrared Up-Conversion in Tm3+ and Yb3+ Doped Fluoride Nanophosphors | Nano Letters | 2008 | 874 |
8 | Enyne Metathesis (Enyne Bond Reorganization) | Chemical Reviews | 2004 | 870 |
9 | Calcium Orthophosphates: Crystallization and Dissolution | Chemical Reviews | 2008 | 803 |
10 | Novel insights into actions of bisphosphonates on bone: Differences in interactions with hydroxyapatite | Bone | 2006 | 737 |
11 | Evaluation of molecular integrals over Gaussian basis functions | Journal of Chemical Physics | 1976 | 718 |
12 | Chemical Applications of X-ray Charge-Density Analysis | Chemical Reviews | 2001 | 677 |
13 | OpenMolcas: From Source Code to Insight | Journal of Chemical Theory and Computation | 2019 | 661 |
14 | On evaluating the reaction path Hamiltonian | Journal of Chemical Physics | 1988 | 632 |
15 | Highly emissive platinum(II) metallacages | Nature Chemistry | 2015 | 597 |
16 | Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package | Journal of Chemical Physics | 2021 | 518 |
17 | Hybrid Quantum and Molecular Mechanical Simulations: An Alternative Avenue to Solvent Effects in Organic Chemistry | Accounts of Chemical Research | 1996 | 510 |
18 | Two-Photon Photodynamic Therapy | Photomedicine and Laser Surgery | 1997 | 492 |
19 | A Generalized Hybrid Orbital (GHO) Method for the Treatment of Boundary Atoms in Combined QM/MM Calculations | Journal of Physical Chemistry A | 1998 | 481 |
20 | Nonlinear multiphoton processes in organic and polymeric materials | Reports on Progress in Physics | 1996 | 480 |
21 | Formation and Stability of N-Heterocyclic Carbenes in Water: The Carbon Acid pKaof Imidazolium Cations in Aqueous Solution | Journal of the American Chemical Society | 2004 | 476 |
22 | Two-photon absorption and optical-limiting properties of novel organic compounds | Optics Letters | 1995 | 458 |
23 | Comparison of the occurrence of antibiotics in four full-scale wastewater treatment plants with varying designs and operations | Chemosphere | 2007 | 437 |
24 | NWChem: Past, present, and future | Journal of Chemical Physics | 2020 | 425 |
25 | Application of donor/acceptor-carbenoids to the synthesis of natural products | Chemical Society Reviews | 2009 | 423 |
26 | Photoinduced Linkage Isomers of Transition-Metal Nitrosyl Compounds and Related Complexes | Chemical Reviews | 2002 | 411 |
27 | An analytical view of ionic liquids | Analyst, The | 2005 | 404 |
28 | Potential Ecological and Human Health Impacts of Antibiotics and Antibiotic-Resistant Bacteria from Wastewater Treatment Plants | Journal of Toxicology and Environmental Health - Part B: Critical Reviews | 2007 | 374 |
29 | Metal Carbides as Alternative Electrocatalyst Supports | ACS Catalysis | 2013 | 358 |
30 | Evaluating the vulnerability of surface waters to antibiotic contamination from varying wastewater treatment plant discharges | Environmental Pollution | 2006 | 354 |
31 | Catalytic Asymmetric C−H Activation of Alkanes and Tetrahydrofuran | Journal of the American Chemical Society | 2000 | 345 |
32 | Optical limiting effect in a two‐photon absorption dye doped solid matrix | Applied Physics Letters | 1995 | 340 |
33 | GFT NMR, a New Approach To Rapidly Obtain Precise High-Dimensional NMR Spectral Information | Journal of the American Chemical Society | 2003 | 340 |
34 | A Photoinducible 1,3‐Dipolar Cycloaddition Reaction for Rapid, Selective Modification of Tetrazole‐Containing Proteins | Angewandte Chemie - International Edition | 2008 | 337 |
35 | Catalytic Aminohalogenation of Alkenes and Alkynes | ACS Catalysis | 2013 | 330 |
36 | Rapid geometry optimization for semi-empirical molecular orbital methods | Chemical Physics Letters | 1971 | 329 |
37 | Accurate de novo design of hyperstable constrained peptides | Nature | 2016 | 327 |
38 | Bioorthogonal chemistry: strategies and recent developments | Chemical Communications | 2013 | 321 |
39 | Heterocycle synthesis by copper facilitated addition of heteroatoms to alkenes, alkynes and arenes | Chemical Society Reviews | 2007 | 317 |
40 | A systematic study of polarizability and microscopic third‐order optical nonlinearity in thiophene oligomers | Journal of Chemical Physics | 1988 | 311 |
41 | Extremely Cost‐Effective and Efficient Solar Vapor Generation under Nonconcentrated Illumination Using Thermally Isolated Black Paper | Global Challenges | 2017 | 311 |
42 | Selective Functionalization of a Genetically Encoded Alkene-Containing Protein via “Photoclick Chemistry” in Bacterial Cells | Journal of the American Chemical Society | 2008 | 306 |
43 | Diffraction Studies of Photoexcited Crystals: Metastable Nitrosyl-Linkage Isomers of Sodium Nitroprusside | Journal of the American Chemical Society | 1997 | 305 |
44 | Induction and Inhibition of Pseudomonas aeruginosa Quorum Sensing by Synthetic Autoinducer Analogs | Chemistry and Biology | 2003 | 301 |
45 | Abundance of six tetracycline resistance genes in wastewater lagoons at cattle feedlots with different antibiotic use strategies | Environmental Microbiology | 2007 | 297 |
46 | Computing chiroptical properties with first‐principles theoretical methods: Background and illustrative examples | Chirality | 2009 | 296 |
47 | Batteries used to power implantable biomedical devices | Electrochimica Acta | 2012 | 293 |
48 | Linear sweep voltammetry at very small stationary disk electrodes | Journal of Electroanalytical Chemistry and Interfacial Electrochemistry | 1984 | 290 |
49 | Molecular Bottlebrushes: New Opportunities in Nanomaterials Fabrication | ACS Macro Letters | 2012 | 281 |
50 | Modern quantum chemistry with [Open]Molcas | Journal of Chemical Physics | 2020 | 281 |