Concepedia

Probing water micro-solvation in proteins by water catalysed proton-transfer tautomerism

Jiun‐Yi Shen, Wei‐Chih Chao, Chun Liu, Hsiao‐An Pan, Chi‐Lin Chen, Yi‐Kang Lan, Li‐Ju Lin, Jinn‐Shyan Wang, Jyh‐Feng Lu, Steven Chun-Wei Chou,

Nature Communications · 2013 · 83 citations · 40 references

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References

40

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations

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Electronic structure calculations on workstation computers: The program system turbomole

Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.5K citations

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

Ove Christiansen, Henrik Koch, Poul Jørgensen · Chemical Physics Letters · 1995 · 1.8K citations

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Fast solvent screening via quantum chemistry: COSMO‐RS approach

Frank Eckert, Andreas Klamt · AIChE Journal · 2002 · 1.8K citations · Full text

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CC2 excitation energy calculations on large molecules using the resolution of the identity approximation

Christof Hättig, Florian Weigend · The Journal of Chemical Physics · 2000 · 1.5K citations

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