Standout Papers

Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint 1988 2026 2000 2013 15.4k
  1. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint (1988)
    Alan E. Reed, Larry A. Curtiss et al. Chemical Reviews
  2. Gaussian-2 theory for molecular energies of first- and second-row compounds (1991)
    Larry A. Curtiss, Krishnan Raghavachari et al. The Journal of Chemical Physics
  3. Gaussian-3 (G3) theory for molecules containing first and second-row atoms (1998)
    Larry A. Curtiss, Krishnan Raghavachari et al. The Journal of Chemical Physics
  4. 6‐31G* basis set for third‐row atoms (2001)
    Vitaly A. Rassolov, Mark A. Ratner et al. Journal of Computational Chemistry
  5. Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation (1997)
    Larry A. Curtiss, Krishnan Raghavachari et al. The Journal of Chemical Physics
  6. Gaussian-4 theory (2007)
    Larry A. Curtiss, Paul C. Redfern et al. The Journal of Chemical Physics
  7. Gaussian-3 theory using density functional geometries and zero-point energies (1999)
    Anwar G. Baboul, Larry A. Curtiss et al. The Journal of Chemical Physics
  8. Gaussian-1 theory: A general procedure for prediction of molecular energies (1989)
    John A. Pople, Martin Head‐Gordon et al. The Journal of Chemical Physics
  9. Gaussian-2 theory using reduced Mo/ller–Plesset orders (1993)
    Larry A. Curtiss, Krishnan Raghavachari et al. The Journal of Chemical Physics
  10. Gaussian-3 theory using reduced Mo/ller-Plesset order (1999)
    Larry A. Curtiss, Paul C. Redfern et al. The Journal of Chemical Physics
  11. Compact contracted basis sets for third‐row atoms: Ga–Kr (1990)
    R. C. Binning, Larry A. Curtiss Journal of Computational Chemistry
  12. Extension of Gaussian-2 theory to molecules containing third-row atoms Ga–Kr (1995)
    Larry A. Curtiss, Mark P. McGrath et al. The Journal of Chemical Physics
  13. Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca (1997)
    Jean‐Philippe Blaudeau, Mark P. McGrath et al. The Journal of Chemical Physics
  14. Nanostructured transition metal dichalcogenide electrocatalysts for CO 2 reduction in ionic liquid (2016)
    Mohammad Asadi, Kibum Kim et al. Science
  15. Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects (2010)
    Lei Yu, Faisal Mehmood et al. Science
  16. Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane (2009)
    Štefan Vajda, Michael J. Pellin et al. Nature Materials
  17. A lithium–oxygen battery based on lithium superoxide (2016)
    Jun Lü, Yun Jung Lee et al. Nature
  18. Assessment of Gaussian-3 and density functional theories for a larger experimental test set (2000)
    Larry A. Curtiss, Krishnan Raghavachari et al. The Journal of Chemical Physics
  19. Studies of molecular association in H2O and D2O vapors by measurement of thermal conductivity (1979)
    Larry A. Curtiss, D. J. Frurip et al. The Journal of Chemical Physics
  20. Gaussian-1 theory of molecular energies for second-row compounds (1990)
    Larry A. Curtiss, Christopher W. Jones et al. The Journal of Chemical Physics
  21. The role of nanotechnology in the development of battery materials for electric vehicles (2016)
    Jun Lü, Zonghai Chen et al. Nature Nanotechnology
  22. Gaussian-4 theory using reduced order perturbation theory (2007)
    Larry A. Curtiss, Paul C. Redfern et al. The Journal of Chemical Physics
  23. Prediction of TiO2 Nanoparticle Phase and Shape Transitions Controlled by Surface Chemistry (2005)
    Amanda S. Barnard, Larry A. Curtiss Nano Letters
  24. Fluorinated electrolytes for 5 V lithium-ion battery chemistry (2013)
    Zhengcheng Zhang, Libo Hu et al. Energy & Environmental Science
  25. Tuning the electrolyte network structure to invoke quasi-solid state sulfur conversion and suppress lithium dendrite formation in Li–S batteries (2018)
    Quanquan Pang, Abhinandan Shyamsunder et al. Nature Energy
  26. Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities (1998)
    Larry A. Curtiss, Paul C. Redfern et al. The Journal of Chemical Physics
  27. A lithium–oxygen battery with a long cycle life in an air-like atmosphere (2018)
    Mohammad Asadi, Baharak Sayahpour et al. Nature
  28. Gaussian-3X (G3X) theory: Use of improved geometries, zero-point energies, and Hartree–Fock basis sets (2001)
    Larry A. Curtiss, Paul C. Redfern et al. The Journal of Chemical Physics
  29. Natural bond orbital analysis of molecular interactions: Theoretical studies of binary complexes of HF, H2O, NH3, N2, O2, F2, CO, and CO2 with HF, H2O, and NH3 (1986)
    Alan E. Reed, Frank Weinhold et al. The Journal of Chemical Physics
  30. Facet-dependent active sites of a single Cu2O particle photocatalyst for CO2 reduction to methanol (2019)
    Yimin A. Wu, Ian McNulty et al. Nature Energy
  31. Burning lithium in CS2 for high-performing compact Li2S–graphene nanocapsules for Li–S batteries (2017)
    Guoqiang Tan, Rui Xu et al. Nature Energy
  32. Molecular orbital theory of the electronic structure of organic compounds. X. Systematic study of geometries and energies of AHn molecules and cations (1971)
    William A. Lathan, Warren J. Hehre et al. Journal of the American Chemical Society
  33. A room temperature rechargeable Li 2 O-based lithium-air battery enabled by a solid electrolyte (2023)
    Alireza Kondori, Mohammadreza Esmaeilirad et al. Science

Immediate Impact

56 by Nobel laureates 28 from Science/Nature 397 standout
Sub-graph 1 of 17

Citing Papers

All-solid-state Li–S batteries with fast solid–solid sulfur reaction
2025 StandoutNature
Establishing reaction networks in the 16-electron sulfur reduction reaction
2024 StandoutNature
12 intermediate papers

Works of Larry A. Curtiss being referenced

Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides Resulting from Competitive Salt and Solvent Interactions
2017
Toward a Molecular Understanding of Energetics in Li–S Batteries Using Nonaqueous Electrolytes: A High-Level Quantum Chemical Study
2014
and 12 more

Author Peers

Author Last Decade Papers Cites
Larry A. Curtiss 17377 21640 21566 21468 494 71.7k
Yan Zhao 14685 21480 16302 25634 558 72.3k
Martin Head‐Gordon 10725 21276 42670 14762 673 76.1k
Evert Jan Baerends 7157 19998 22892 16646 366 56.9k
Michael J. Frisch 9122 20654 30723 28075 275 80.3k
Reinhart Ahlrichs 9957 29723 27583 31166 323 89.6k
Vincenzo Barone 10965 24006 28007 28694 894 85.5k
Frank Neese 7851 29637 18942 20090 660 82.8k
Gustavo E. Scuseria 23296 57777 36357 15623 486 99.5k
Warren J. Hehre 6552 15091 21691 25455 211 61.0k
Carlo Adamo 8283 18544 12926 12974 454 43.7k

All Works

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