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Работы, на которые ссылается эта работа

Работ: 102

Работа: A mechanistic study on guanidine-catalyzed chemical fixation of CO<sub>2</sub>with 2-aminobenzonitrile to quinazoline-2,4(1H,3H)-dione

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Статья2011Цитирований: 110
    ABI

  2. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao, Donald G. Truhlar

    Статья2007Цитирований: 29
    ABI

  3. Atoms in Molecules

    Richard F. W. Bader

    Книга1990Цитирований: 11
    ABI

  4. An improved algorithm for reaction path following

    Carlos A. Gonzalez, H. Bernhard Schlegel

    Статья1989Цитирований: 9
    ABI

  5. 6-31G* basis set for atoms K through Zn

    Vitaly A. Rassolov, John A. Pople, Mark A. Ratner +1

    Статья1998Цитирований: 9
    ABI

  6. 6‐31G* basis set for third‐row atoms

    Vitaly A. Rassolov, Mark A. Ratner, John A. Pople +2

    Статья2001Цитирований: 9
    ABI

  7. Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

    Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar

    Статья2009Цитирований: 8
    ABI

  8. Density Functionals with Broad Applicability in Chemistry

    Yan Zhao, Donald G. Truhlar

    Статья2008Цитирований: 8
    ABI

  9. Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

    Tian Lu, Feiwu Chen

    Статья2012Цитирований: 7
    ABI

  10. Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

    Warren J. Hehre, R. Ditchfield, John A. Pople

    Статья1972Цитирований: 6
    ABI

  11. Compact contracted basis sets for third‐row atoms: Ga–Kr

    R. C. Binning, Larry A. Curtiss

    Статья1990Цитирований: 5
    ABI

  12. Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements

    Michelle Francl, William J. Pietro, Warren J. Hehre +4

    Статья1982Цитирований: 4
    ABI

  13. Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca

    Jean‐Philippe Blaudeau, Mark P. McGrath, Larry A. Curtiss +1

    Статья1997Цитирований: 4
    ABI

  14. The influence of polarization functions on molecular orbital hydrogenation energies

    P. C. Hariharan, John A. Pople

    Статья1973Цитирований: 4
    ABI

  15. Carbon dioxide utilization as a soft oxidant and promoter in catalysis

    Mohd Bismillah Ansari, Sang‐Eon Park

    Статья2012Цитирований: 3
    ABI

  16. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

    R. Ditchfield, Warren J. Hehre, John A. Pople

    Статья1971Цитирований: 3
    ABI

  17. The isomers of silacyclopropane

    Mark S. Gordon

    Статья1980Цитирований: 3
    ABI

  18. Accuracy of AH<sub><i>n</i></sub>equilibrium geometries by single determinant molecular orbital theory

    P. C. Hariharan, John A. Pople

    Статья1974Цитирований: 3
    ABI

  19. Utilisation of CO2 as a chemical feedstock: opportunities and challenges

    Michele Aresta, Angela Dibenedetto

    Статья2007Цитирований: 2
    ABI

  20. Chemical Applications of Atomic and Molecular Electrostatic Potentials: "Reactivity, Structure, Scattering, And Energetics Of Organic, Inorganic, And Biological Systems"

    Peter Politzer, Donald G. Truhlar

    Книга2013Цитирований: 2
    ABI

  21. Electrostatics of Atoms and Molecules

    Shridhar R. Gadre, Rajendra N. Shirsat

    Книга2001Цитирований: 2
    ABI

  22. Mechanism of N-heterocyclic carbene-catalyzed chemical fixation of CO<sub>2</sub> with aziridines: a theoretical study

    Weiyi Li, Dong Feng Huang, Yajing Lv

    Статья2014Цитирований: 2
    ABI

  23. Recent developments in carbon dioxide utilization under mild conditions

    Siti Nurhanna Riduan, Yugen Zhang

    Статья2010Цитирований: 2
    ABI

  24. Sustainable conversion of carbon dioxide: the advent of organocatalysis

    Giulia Fiorani, Wusheng Guo, Arjan W. Kleij

    Статья2014Цитирований: 2
    ABI

  25. Recent Advances in Carbon Dioxide Capture, Fixation, and Activation by using N‐Heterocyclic Carbenes

    Longhua Yang, Hongming Wang

    Обзорная статья2014Цитирований: 2
    ABI