Molecular dynamics simulation of the rotational order–disorder phase transition in calcite
✍ Scribed by Kawano, Jun; Miyake, Akira; Shimobayashi, Norimasa; Kitamura, Masao
- Book ID
- 120406514
- Publisher
- Institute of Physics
- Year
- 2009
- Tongue
- English
- Weight
- 946 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0953-8984
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The enthalpy of calcite has been measured directly between 973 K and 1325 K by transposed-temperaturedrop calorimetry. The excess enthalpy has been analysed in terms of Landau theory for this tricritical phase transition. The zero-point enthalpy and entropy allow estimates of the parameters a and C
## Abstract We have studied the conformational transition of the calmodulin binding domains (CBD) in several calmodulin‐binding kinases, in which CBD changes from the disordered state to the ordered state when binding with calmodulin (CaM). Targeted molecular dynamics simulation was used to investi