Concepedia

An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures

Ultan Burke, Kieran P. Somers, Peter O’Toole, Chis M. Zinner, N. Marquet, Gilles Bourque, Eric L. Petersen, Wayne K. Metcalfe, Zeynep Serinyel, Henry J. Curran

Combustion and Flame · 2014 · 452 citations · 65 references

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65

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

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

, , +10

A complete basis set model chemistry. VII. Use of the minimum population localization method

John A. Montgomery, Michael J. Frisch, Joseph W. Ochterski et al. · The Journal of Chemical Physics · 2000 · 1.9K citations

, , +16

A complete basis set model chemistry. V. Extensions to six or more heavy atoms

Joseph W. Ochterski, George A. Petersson, John A. Montgomery · The Journal of Chemical Physics · 1996 · 1.6K citations

, , +17