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Efficient and Accurate Approach To Estimate Hybrid Functional and Large Basis-Set Contributions to Condensed-Phase Systems and MoleculeSurface Interactions

机译：高效和准确的方法来估计混合功能和大基础设定贡献，对凝聚相系统和分子曲面相互作用

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1. Efficient and Accurate Approach To Estimate Hybrid Functional and Large Basis-Set Contributions to Condensed-Phase Systems and Molecule-Surface Interactions [J] . Ricard Timothy C., Iyengar Srinivasan S. Journal of chemical theory and computation: JCTC . 2020,第8期

机译：高效和准确的方法来估计混合功能和大基础设定贡献，对凝聚相系统和分子表面相互作用
2. Accurate quadruple-ζ basis-set approximation for double-hybrid density functional theory with an order of magnitude reduction in computational cost [J] . Bun Chan, Leo Radom Theoretical chemistry accounts . 2014,第2期

机译：双混合密度泛函理论的精确四倍ζ基集逼近，计算量减少了一个数量级
3. Improved Basis-Set Incompleteness Potentials for Accurate Density-Functional Theory Calculations in Large Systems [J] . A. Otero-de-la-Roza, Gino A. DiLabio Journal of chemical theory and computation: JCTC . 2020,第7期

机译：改进基础设定的不完整潜力，用于大型系统中精确的密度功能理论计算
4. Estimating the contribution of traffic-related pollutants to urban air quality for applying a hybrid modeling approach [C] . Yoon-Hee Kang, Yoo-Keun Kim, In-Bo Oh, Annual conference of the International Society of Exposure Science . 2014

机译：应用混合建模方法估算与交通有关的污染物对城市空气质量的贡献
5. Accurate and efficient quantum chemistry calculations for noncovalent interactions in many-body systems. [D] . Lao, Ka Un. 2016

机译：准确有效的多体系统中非共价相互作用的量子化学计算。
6. Doubly hybrid density functional for accurate descriptions of nonbond interactions thermochemistry and thermochemical kinetics [O] . Ying Zhang, Xin Xu, William A. Goddard III 2009

机译：双重混合密度泛函用于准确描述非键相互作用热化学和热化学动力学
7. Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of Noncovalent Interactions [O] . Aragó March, Juan, Ortí Guillén, Enrique, Sancho-Garcia, Juan-Carlos 2013

机译：非本地范德华方法与双杂化密度函数合并：走向非共价相互作用的准确治疗
8. Logistic and Multiple Regression: A Two-Pronged Approach to Accurately Estimate Cost Growth in Major DoD Weapon Systems [R] . Rossetti, M. B. 2004

机译：Logistic和multiple Regression：一种准确估计主要国防部武器系统成本增长的双管齐下方法

Efficient and Accurate Approach To Estimate Hybrid Functional and Large Basis-Set Contributions to Condensed-Phase Systems and MoleculeSurface Interactions

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