T. Daniel Crawford

<scp>Psi4</scp> 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

Robert M. Parrish, Lori A. Burns, Daniel G. A. Smith et al. · Journal of Chemical Theory and Computation · 2017 · 1.2K citations · Full text

Engineering, Physics, Electronic Design Automation +13

Psi4: an open‐source <i>ab initio</i> electronic structure program

Justin M. Turney, Andrew C. Simmonett, Robert M. Parrish et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1K citations

Engineering, Physics, Computational Approaches +15

P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry

Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett et al. · The Journal of Chemical Physics · 2020 · 923 citations · Full text

Ab initio calculation of molecular chiroptical properties

T. Daniel Crawford · Theoretical Chemistry Accounts · 2005 · 400 citations

Physics, Natural Sciences, Molecular Chiroptical Properties +4

The Current State of <i>Ab Initio</i> Calculations of Optical Rotation and Electronic Circular Dichroism Spectra

T. Daniel Crawford, Mary C. Tam, Micah L. Abrams · The Journal of Physical Chemistry A · 2007 · 278 citations

Ab Initio Models, Engineering, Computational Chemistry +21