Thermal isomerizations of monothiolated carboranes (HS)C2B10H11 and the solid-state investigation of 9-(HS)-1,2-C2B10H11 and 9-(HS)-1,7-C2B10H11

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Natural Sciences, Chemistry, Computational Chemistry +15

Electronic structure calculations on workstation computers: The program system turbomole

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Computing, Computer Science, High-performance Computing +9

RI-MP2: optimized auxiliary basis sets and demonstration of efficiency

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Natural Sciences, Computer Science, Mathematics +4

The second-order approximate coupled cluster singles and doubles model CC2

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Natural Sciences, Physics, Computational Chemistry +8

Geometry optimizations with the coupled-cluster model CC2 using the resolution-of-the-identity approximation

Christof Hättig · The Journal of Chemical Physics · 2003 · 488 citations

Natural Sciences, Chemistry, Physics +17