Haku "density functional theory"

Chen, Zhongfang - Graphene Chemistry: Theoretical Perspectives, e-kirja

Graphene Chemistry: Theoretical Perspectives

Chen, Zhongfang

Alk. 149,15€

Topics covered include: Graphene ribbons: Edges, magnetism, preparation from unzipping, and electronic transport Nanographenes: Properties, reactivity, and synthesis Clar sextet rule in nanographene and graphene nanoribbons Porous graphene, nanomeshes, and graphene-based architecture and assemblies

Alber, Frank - Quantum Medicinal Chemistry, e-kirja

Quantum Medicinal Chemistry

Alber, Frank


All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with problems in pharmaceutical

Khan, Zishan Husain - Recent Trends in Nanomaterials, e-kirja

Recent Trends in Nanomaterials

Khan, Zishan Husain


Table of contents
1. Graphene Oxide: Synthesis and Characterization
Mohd. Bilal Khan, Mohd. Parvaz, Zishan Husain Khan
2. Wear Behavior of Composites and Nanocomposites: A New Approach
Yasmin Choudhury, Pallav Gupta
3. Nanoparticles as Targeted Drug Delivery Agents: Synthesis, Mechanism and Applications

Morishita, Tetsuya - Silicene, e-kirja


Morishita, Tetsuya


Free-Standing Multilayer Silicene: Molecular-Dynamics and Density Functional Theory Studies
Tetsuya Morishita, Michelle J. S. Spencer
Part II. Modified Silicene
4. Soft Chemical Synthesis of Functionalized Silicene