Computational Quantum Chemistry最新文献_第3页

Contribution of Computations to Metal-Mediated Radical Polymerization 计算对金属介导自由基聚合的贡献

Computational Quantum Chemistry Pub Date : 1900-01-01 DOI: 10.1016/B978-0-12-815983-5.00007-6

R. Poli

引用次数: 0

Computational Quantum Chemistry Pub Date : 1900-01-01 DOI: 10.1016/b978-0-12-815983-5.00017-9

L. Broadbelt, R. Cipullo, Michelle L. Coote, D. Cuccato, C. De Rosa, Isa Degirmenci, R. di Girolamo, C. Ehm, M. Grady, Z. Hou, Xiaohui Kang, I. Konstantinov, Yi Luo, Evangelos Mavroudakis, D. Moscatelli, R. Poli, A. Rappe, M. Soroush, S. Srinivasan, G. Talarico, F. Zaccaria

引用次数: 0

Theoretical Insights Into Chain Transfer Reactions of Acrylates 丙烯酸酯链转移反应的理论认识

Computational Quantum Chemistry Pub Date : 1900-01-01 DOI: 10.1016/B978-0-12-815983-5.00005-2

M. Soroush, A. Rappe

引用次数: 3

Theoretical Insights into Olefin Polymerization Catalyzed by Cationic Organo Rare-Earth Metal Complexes 阳离子有机稀土金属配合物催化烯烃聚合的理论见解

Computational Quantum Chemistry Pub Date : 1900-01-01 DOI: 10.1016/B978-0-12-815983-5.00010-6

Xiaohui Kang, Yi Luo, Z. Hou

引用次数: 3

A Quantum Mechanical Approach for Accurate Rate Parameters of Free-Radical Polymerization Reactions 自由基聚合反应精确速率参数的量子力学方法

Computational Quantum Chemistry Pub Date : 1900-01-01 DOI: 10.1016/B978-0-12-815983-5.00002-7

I. Konstantinov, L. Broadbelt

引用次数: 1

From Mechanistic Investigation to Quantitative Prediction 从机械调查到定量预测

Computational Quantum Chemistry Pub Date : 1900-01-01 DOI: 10.1016/B978-0-12-815983-5.00009-X

C. Ehm, F. Zaccaria, R. Cipullo

引用次数: 7

Determination of Reaction Rate Coefficients in Free-Radical Polymerization Using Density Functional Theory 用密度泛函理论测定自由基聚合反应速率系数

Computational Quantum Chemistry Pub Date : 1900-01-01 DOI: 10.1016/B978-0-12-815983-5.00003-9

Evangelos Mavroudakis, D. Cuccato, D. Moscatelli

引用次数: 6