From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties.

By Xin Xu, William A. Goddard III. Proceedings of the National Academy of Sciences of the United States of America, 2004

804 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/f58e6e50afc33742efd2759092694d8600b293ea

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. J. Lewis
2. Stephan Kümmel
3. O. V. Lilienfeld
4. Leeor Kronik
5. Mehran Kardar
6. Sergei V. Kalinin
7. Rudolf Podgornik
8. A. Jagota

In Molecular Biology

1. O. V. Lilienfeld
2. Leeor Kronik
3. Stephan Kümmel

Citations in the corpus

• Orbital-dependent density functionals: Theory and applications (2008, methodology): “…procedures, richer experimental training sets, and training sets based additionally on computational results obtained using wave-function-based methods see, e.g., Hamprecht et al., 1998; Cohen and Handy, 2001; Wilson et al., 2001; Xu and Goddard, 2004; Lynch et al., 2004; Keal and Tozer, 2005 .”
• Long Range Interactions in Nanoscale Science. (2010, methodology): “The recently introduced X3LYP functional Xu and Goddard, 2004 was quickly shown to fail completely for stacked nucleic acid bases and amino acid pairs Cerny and Hobza, 2005 , although hydrogen bonding was found to be well described.”