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Updated: Jun 3, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

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对分子系统的简化模型的变量量子自溶解方法的评估:对Protocatechuic酸的案例研究

Gleydson Fernandes de Jesus1,2, Erico Souza Teixeira3,4, Lucas Queiroz Galvão1,2

  • 1QuIIN-Quantum Industrial Innovation, EMBRAPII CIMATEC Competence Center in Quantum Technologies, SENAI CIMATEC, Av. Orlando Gomes, 1845, Salvador 41850-010, BA, Brazil.

Molecules (Basel, Switzerland)
|January 11, 2025
PubMed
概括

变量量子Eigensolver (VQE) 精确计算分子基态能量,性能取决于Ansatz设计和活动空间选择. 这种混合量子-经典方法对化学模拟具有前景.

关键词:
土壤状态 土地状态甲基甲基酸是什么 甲基甲基甲基酸是什么量子计算化学 量子计算化学量子计算是一种量子计算.变量量子本身可以解决问题.

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