# | Title | Journal | Year | Citations |
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1 | A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability | Journal of the American Chemical Society | 2008 | 5,478 |
2 | Organic aerosol and global climate modelling: a review | Atmospheric Chemistry and Physics | 2005 | 2,947 |
3 | Basis-set convergence of correlated calculations on water | Journal of Chemical Physics | 1997 | 2,197 |
4 | Basis-set convergence in correlated calculations on Ne, N2, and H2O | Chemical Physics Letters | 1998 | 1,989 |
5 | Synthesis and Stability of Tagged UiO-66 Zr-MOFs | Chemistry of Materials | 2010 | 1,547 |
6 | Conversion of Methanol to Hydrocarbons: How Zeolite Cavity and Pore Size Controls Product Selectivity | Angewandte Chemie - International Edition | 2012 | 1,476 |
7 | Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory | Chemistry of Materials | 2011 | 1,420 |
8 | Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants | Chemical Reviews | 1999 | 1,318 |
9 | Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table | Journal of Computational Chemistry | 2016 | 1,317 |
10 | The Dalton quantum chemistry program system | Wiley Interdisciplinary Reviews: Computational Molecular Science | 2014 | 1,166 |
11 | The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule | Journal of Chemical Physics | 1981 | 982 |
12 | Defect Engineering: Tuning the Porosity and Composition of the Metal–Organic Framework UiO-66 via Modulated Synthesis | Chemistry of Materials | 2016 | 933 |
13 | Conversion of methanol to hydrocarbons over zeolite H-ZSM-5: On the origin of the olefinic species | Journal of Catalysis | 2007 | 893 |
14 | Solid-state protonic conductors: principles, properties, progress and prospects | Solid State Ionics | 1999 | 747 |
15 | Mechanistic Aspects of C−H Activation by Pt Complexes | Chemical Reviews | 2005 | 719 |
16 | Principles for a directSCFapproach toLICAO-MOab-initiocalculations | Journal of Computational Chemistry | 1982 | 670 |
17 | Tuned to Perfection: Ironing Out the Defects in Metal–Organic Framework UiO-66 | Chemistry of Materials | 2014 | 634 |
18 | Basis-set convergence of the energy in molecular Hartree–Fock calculations | Chemical Physics Letters | 1999 | 604 |
19 | Hydrogen adsorption in a nickel based coordination polymer with open metal sites in the cylindrical cavities of the desolvated framework | Chemical Communications | 2006 | 596 |
20 | On the Reaction Mechanism for Hydrocarbon Formation from Methanol over SAPO-34 | Journal of Catalysis | 1996 | 585 |
21 | Theoretical investigation of magnetoelectric behavior inBiFeO3 | Physical Review B | 2006 | 582 |
22 | The Inconsistency in Adsorption Properties and Powder XRD Data of MOF-5 Is Rationalized by Framework Interpenetration and the Presence of Organic and Inorganic Species in the Nanocavities | Journal of the American Chemical Society | 2007 | 575 |
23 | An overview of the methods used in the characterisation of natural organic matter (NOM) in relation to drinking water treatment | Chemosphere | 2011 | 549 |
24 | Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations | Chemical Reviews | 2012 | 549 |
25 | Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O | Journal of Chemical Physics | 1990 | 529 |
26 | On the reaction mechanism for propene formation in the MTO reaction over SAPO-34 | Catalysis Letters | 1993 | 529 |
27 | An In Situ High-Temperature Single-Crystal Investigation of a Dehydrated Metal-Organic Framework Compound and Field-Induced Magnetization of One-Dimensional Metal-Oxygen Chains | Angewandte Chemie - International Edition | 2005 | 528 |
28 | Proton conduction in rare-earth ortho-niobates and ortho-tantalates | Nature Materials | 2006 | 457 |
29 | Electronic and vibrational properties of a MOF-5 metal–organic framework: ZnO quantum dot behaviour | Chemical Communications | 2004 | 445 |
30 | Assessment of a Coulomb-attenuated exchange–correlation energy functional | Physical Chemistry Chemical Physics | 2006 | 437 |
31 | Nanotube Formation by Hydrophobic Dipeptides | Chemistry - A European Journal | 2001 | 433 |
32 | Methanol to gasoline over zeolite H-ZSM-5: Improved catalyst performance by treatment with NaOH | Applied Catalysis A: General | 2008 | 433 |
33 | α-Particle Radiotherapy with 211At-Labeled Monodisperse Polymer Particles, 211At-Labeled IgG Proteins, and Free 211At in a Murine Intraperitoneal Tumor Model | Gynecologic Oncology | 1995 | 429 |
34 | H2storage in isostructural UiO-67 and UiO-66 MOFs | Physical Chemistry Chemical Physics | 2012 | 415 |
35 | The CC3 model: An iterative coupled cluster approach including connected triples | Journal of Chemical Physics | 1997 | 412 |
36 | In Inland China, Rice, Rather than Fish, Is the Major Pathway for Methylmercury Exposure | Environmental Health Perspectives | 2010 | 412 |
37 | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | Nature | 2010 | 393 |
38 | Global warming potentials and radiative efficiencies of halocarbons and related compounds: A comprehensive review | Reviews of Geophysics | 2013 | 390 |
39 | The structure of nanotubes formed by diphenylalanine, the core recognition motif of Alzheimer's β-amyloid polypeptide | Chemical Communications | 2006 | 385 |
40 | Basis set convergence of the interaction energy of hydrogen-bonded complexes | Journal of Chemical Physics | 1999 | 363 |
41 | Density-functional theory of linear and nonlinear time-dependent molecular properties | Journal of Chemical Physics | 2002 | 359 |
42 | The accurate determination of molecular equilibrium structures | Journal of Chemical Physics | 2001 | 353 |
43 | Adsorption properties and structure of CO2 adsorbed on open coordination sites of metal–organic framework Ni2(dhtp) from gas adsorption, IR spectroscopy and X-ray diffraction | Chemical Communications | 2008 | 348 |
44 | A comparison study on Raman scattering properties of α- and β-MnO2 | Analytica Chimica Acta | 2009 | 347 |
45 | Product shape selectivity dominates the Methanol-to-Olefins (MTO) reaction over H-SAPO-34 catalysts | Journal of Catalysis | 2009 | 344 |
46 | Hydrogen in oxides | Dalton Transactions | 2004 | 342 |
47 | Direct conversion of methane to aromatics in a catalytic co-ionic membrane reactor | Science | 2016 | 341 |
48 | Post-synthetic modification of the metal–organic framework compound UiO-66 | Journal of Materials Chemistry | 2010 | 340 |
49 | The prediction of molecular equilibrium structures by the standard electronic wave functions | Journal of Chemical Physics | 1997 | 333 |
50 | The Reactivity of Molecules Trapped within the SAPO-34 Cavities in the Methanol-to-Hydrocarbons Reaction | Journal of the American Chemical Society | 2001 | 330 |