Structures and infrared spectra of calcium phosphate clusters by ab initio methods with implicit solvation models.

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Structures and infrared spectra of calcium phosphate clusters by ab initio methods with implicit solvation models.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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Structures and infrared spectr ...... ith implicit solvation models.

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Structures and infrared spectr ...... ith implicit solvation models.

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Structures and infrared spectr ...... ith implicit solvation models.

@en

Structures and infrared spectr ...... ith implicit solvation models.

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Structures and infrared spectr ...... ith implicit solvation models.

@en

Structures and infrared spectr ...... ith implicit solvation models.

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P1476

Structures and infrared spectr ...... with implicit solvation models

@en

P2093

Cheng-Chau Chiu

http://www.w3.org/2001/XMLSchema#string

Tzu-Jen Lin

http://www.w3.org/2001/XMLSchema#string

P2860

Inhomogeneous Electron Gas

Self-Consistent Equations Including Exchange and Correlation Effects

Evidence of multi-step nucleation leading to various crystallization pathways from an Fe-O-Al melt.

The role of prenucleation clusters in surface-induced calcium phosphate crystallization.

Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.

Stable prenucleation mineral clusters are liquid-like ionic polymers.

Pre-nucleation clusters as solute precursors in crystallisation.

Calculating Free Energy Changes in Continuum Solvation Models.

The initial stages of template-controlled CaCO3 formation revealed by cryo-TEM.

Performance of M06, M06-2X, and M06-HF density functionals for conformationally flexible anionic clusters: M06 functionals perform better than B3LYP for a model system with dispersion and ionic hydrogen-bonding interactions.

P304

345-356

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P31

scholarly article

P356

10.1039/C7CP05975B

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P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Cheng-Chau Chiu

Tzu-Jen Lin

P577

2017-12-01T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

29210384

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