Edward F. C. Byrd

Q-Chem 2.0: a high-performanceab initio electronic structure program package

Jing Kong, Christopher A. White, Anna I. Krylov et al. · Journal of Computational Chemistry · 2000 · 628 citations

Engineering, Computational Chemistry, Chemistry +16

Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations

Edward F. C. Byrd, Betsy M. Rice · The Journal of Physical Chemistry A · 2005 · 587 citations

Engineering, Material Simulation, Computational Chemistry +21

Size-consistent wave functions for nondynamical correlation energy: The valence active space optimized orbital coupled-cluster doubles model

Anna I. Krylov, C. David Sherrill, Edward F. C. Byrd et al. · The Journal of Chemical Physics · 1998 · 261 citations

Engineering, Computational Complexity, Computational Chemistry +18

Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+

C. David Sherrill, Anna I. Krylov, Edward F. C. Byrd et al. · The Journal of Chemical Physics · 1998 · 261 citations

Cluster Science, Engineering, Such Orbitals +15

Harmonic Vibrational Frequencies: Approximate Global Scaling Factors for TPSS, M06, and M11 Functional Families Using Several Common Basis Sets

D. O. Kashinski, G. M. Chase, R. G. Nelson et al. · The Journal of Physical Chemistry A · 2017 · 220 citations

Engineering, Physics, Global Scaling Factors +15