The Conveyor Belt Umbrella Sampling (CBUS) Scheme: Principle and Application to the Calculation of the Absolute Binding Free Energies of Alkali Cations to Crown Ethers


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Date

2020-04-14

Publication Type

Journal Article

ETH Bibliography

yes

Citations

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Data

Rights / License

Publication status

published

Editor

Book title

Volume

16 (4)

Pages / Article No.

2474 - 2493

Publisher

American Chemical Society

Event

Edition / version

Methods

Software

Geographic location

Date collected

Date created

Subject

Organisational unit

08820 - Hünenberger, Philippe (Tit.-Prof.) check_circle

Notes

Funding

175944 - A Combinatorial Computational Chemistry Approach to Force-Field Development (SNF)

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