DL-FIND: an open-source geometry optimizer for atomistic simulations.

By J. Kästner, Joanne M. Carr, T. Keal, Walter Thiel, A. Wander, Paul Sherwood. Journal of Physical Chemistry A, 2009

593 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/601a77dd022347f411b18f2ed4a90d6834f1c6f8

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In Materials Chemistry

1. Y. Yoon

Citations in the corpus

• Competitive adsorption of selected non-steroidal anti-inflammatory drugs on activated biochars: Experimental and molecular modeling study (2015, methodology): “The geometries of the biochar structures and NSAIDs were optimized using dispersion-corrected density functional theory [19] with the BLYP functional, and the 6-31++G(d,p) basis set in TeraChem [20].”