Concepedia

Metallacyclopropene structures identified by IRMPD spectroscopic investigation of the dehydrogenation reactions of Ta+ and TaO+ with ethene

Oscar W. Wheeler, Rebecca A. Coates, Vivike J. F. Lapoutre, Joost M. Bakker, P. B. Armentrout

International Journal of Mass Spectrometry · 2019 · 10 citations · 32 references

DOIFull text

Open access

Concepts

References

32

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

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

, , +13

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

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

, , +17

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations

, , +15

Two-State Reactivity as a New Concept in Organometallic Chemistry

Detlef Schröder, Sason Shaik, Helmut Schwarz · Accounts of Chemical Research · 2000 · 1.2K citations

, , +14