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Updated: Jul 15, 2026

High-Throughput Measurement and Classification of Organic P in Environmental Samples
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精确的pK (a) 计算使用完整基数组和高斯-n模型与CPCM连续溶解方法相结合的碳酸

M D Liptak1, G C Shields

  • 1Contribution from the Department of Chemistry, Hamilton College, 198 College Hill Road, Clinton, New York 13323, USA.

Journal of the American Chemical Society
|July 27, 2001
PubMed
概括

用先进的计算方法计算了碳酸的准确pK (a) 值. 完整基准集 (CBS) 和高斯-n模型与CPCM解法相结合,实现了高精度,误差低于半个pK (a) 单位.

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