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Solvation structure and gelation ability of polyelectrolytes: predictions by quantum chemistry methods and integral equation theory of molecular liquids

机译：聚电解质的溶剂化结构和胶凝能力：量子化学方法和分子液体积分方程理论的预测

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Lyubimova O.; Liu X.; Gusarov S.; Kobryn A.E.; Kovalenko A.;
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年度 2011
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1. Solvation structure and gelation ability of polyelectrolytes: predictions by quantum chemistry methods and integral equation theory of molecular liquids [J] . O. Lyubimova, X. Liu, S. Gusarov, Procedia Computer Science . 2011,第1期

机译：聚电解质的溶剂化结构和胶凝能力：量子化学方法和分子液体积分方程理论的预测
2. Integral Equation Theory of Molecular Solvation Coupled with Quantum Mechanical/Molecular Mechanics Method in NWChem Package [J] . Gennady N. Chuev, Marat Valiev, Marina V. Fedotova Journal of chemical theory and computation: JCTC . 2012,第4期

机译：NWChem封装中分子溶解的积分方程理论与量子力学/分子力学方法的结合
3. Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics [J] . Kovalenko Andriy, Gusarov Sergey Physical chemistry chemical physics: PCCP . 2018,第5期

机译：多尺度方法框架：用量子化学，分子模拟和耗散粒子动力学的溶剂化分子理论的自我一致耦合
4. A volume integral equation solver for quantum-corrected transient analysis of scattering from plasmonic nanostructures [C] . Sadeed B. Sayed, Ismail Enes Uysal, Hakan Bagci, 2018 International Applied Computational Electromagnetics Society Symposium . 2018

机译：体积积分方程求解器，用于等离子纳米结构散射的量子校正瞬态分析
5. Multi-layer methods for quantum chemistry in the condensed phase: Combining density functional theory, molecular mechanics, and continuum solvation models. [D] . Lange, Adrian William George. 2012

机译：凝聚态量子化学的多层方法：结合密度泛函理论，分子力学和连续介质溶剂化模型。
6. Prediction of polyelectrolyte polypeptide structures using Monte Carlo conformational search methods with implicit solvation modeling. [O] . J. S. Evans, S. I. Chan, W. A. Goddard 3rd 1995

机译：使用蒙特卡洛构象搜索方法和隐式溶剂化模型预测聚电解质多肽的结构。
7. Solvation structure and gelation ability of polyelectrolytes: Predictions by quantum chemistry methods and integral equation theory of molecular liquids [O] . Lyubimova, O., Liu, X., Gusarov, S., 2011

机译：聚电解质的溶剂化结构和胶凝能力：量子化学方法和分子液体积分方程理论的预测
8. International Journal of Quantum Chemistry. Quantum Chemistry Symposium No. 31.Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods Held at Ponce de Leon Resort, St. [R] . 1997

机译：国际量子化学杂志。量子化学研讨会第31期。在原子，分子和凝聚态物理理论和计算方法国际研讨会期间举行的ponce de Leon Resort，st。

Solvation structure and gelation ability of polyelectrolytes: predictions by quantum chemistry methods and integral equation theory of molecular liquids

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