Concepedia
Combustion and Flame · 2020 · 29 citations · 30 references
Open access
EngineeringHeterocyclicBiochemistryRadical-involved PathwaysNatural SciencesCritical RoleRadical (Chemistry)Reaction IntermediateChemistryChemical KineticsBiomolecular Engineering
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Molpro: a general‐purpose quantum chemistry program package
Hans‐Joachim Werner, Peter J. Knowles, Gerald Knizia et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 3.7K citations
Quantum Science, Electron Density, Abstract Molpro +15
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
Larry A. Curtiss, Krishnan Raghavachari, Paul C. Redfern et al. · The Journal of Chemical Physics · 1998 · 2.9K citations
Gaussian-3 Theory, Engineering, Physics +15
A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
John A. Montgomery, Michael J. Frisch, Joseph W. Ochterski et al. · The Journal of Chemical Physics · 1999 · 2.7K citations
Chemical Engineering, Complete Basis, Engineering +14
Gaussian-3 theory using density functional geometries and zero-point energies
Anwar G. Baboul, Larry A. Curtiss, Paul C. Redfern et al. · The Journal of Chemical Physics · 1999 · 1.7K citations
Chemical Thermodynamics, Gaussian-3 Theory, Engineering +12
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms
Connie W. Gao, Joshua W. Allen, William H. Green et al. · Computer Physics Communications · 2016 · 798 citations · Full text