2021年4月30日 · 通常COSMO是基于电子密度计算的，而是uESE/xESE的COSMO则是基于CM5原子电荷计算的；更具体来说，在求解表面显著电荷时利用使用CM5电荷计算溶质孔洞表面的静电势。 (2)uESE/xESE模型并不纳入SCF迭代过程中，也不影响电子结构，不能计算带溶剂模型时的受力和Hessian，相当于是一个“后”溶剂模型。 uESE/xESE仅适合基于CM5电荷算溶解自由能的目的。 由于uESE/xESE中的参数是基于气相下B3LYP/def2-TZVP级别的结构和波函数计算 …

2021年4月30日 · 通常COSMO是基于电子密度计算的，而是uESE/xESE的COSMO则是基于CM5原子电荷计算的；更具体来说，在求解表面显著电荷时利用使用CM5电荷计算溶质孔洞表面的静电势。 (2)uESE/xESE模型并不纳入SCF迭代过程中，也不影响电子结构，不能计算带溶剂模型时的受力和Hessian，相当于是一个“后”溶剂模型。 uESE/xESE仅适合基于CM5电荷算溶解自由能的目的。 由于uESE/xESE中的参数是基于气相下B3LYP/def2-TZVP级别的结构和波函数计算 …

uESE is a simple, non-iterative COSMO-based method for evaluation of solvation free energies of molecules and ions for arbitrary solvents. It requires gas-phase CM5 atomic charges only.

Mixed use is a type of urban development, urban design, urban planning and/or a zoning classification that blends multiple uses, such as residential, commercial, cultural, institutional, or entertainment, into one space, where those functions are to some degree physically and functionally integrated, and that provides pedestrian connections. [1 ...

Each substance in a mixture retains its unique properties and can be separated using simple methods. Mixtures are ubiquitous and can be found everywhere—for instance, in the air we …

2016年1月1日 · The article gives the definition of mixed use areas and reviews the main studies relating to mixed use areas, and creation of a comfortable urban environment. It discusses the principle of the compact urban environment. The enumerated effects occur when the compactness of the urban environment is reached.

2015年5月29日 · As suburban areas grow and become more urbanized, mixed-use areas are cropping up with greater frequency. While suburban mixed-use differs in shape from its urban counterparts, Lawson and Carman say an evolving definition of the term may be needed.

ith residential uses on upper floors. The ULI Mixed-Use Development Handbook characterizes mixed-use development as one that 1) provides three or more significant revenue-producing uses (such as retail/ entertainment, office, residential, hotel, and/or civic/cultural/recreation), 2) fosters integration, density, and compatibility of land uses ...

2024年11月7日 · Mixed-use developments provide a solution by combining residential, commercial, and sometimes industrial spaces within a single area. This approach not only optimizes land use but also fosters vibrant communities and sustainable urban growth.

2023年3月15日 · Discover 7 examples of mixed-use developments that are transforming urban areas and providing exciting new living and working spaces. Learn how these developments are changing the…