包邮晶体结构理论与应用

Chapter 1 The Effect of Organoclay Loading and Matrix Morphology on Charge Transport and Dielectric Breakdown in an Ethylene-Based Polymer Blenc by Allison V. Shaw, Alun S. Vaughan and Thomas Andritsch Chapter 2 . The Diagnostic Accuracy of Imaging Modalities to Detect Pseudarthrosis after Spinal Fusion--A Systematic Review and Meta-Analysis of the Literature by Marloes J. M. Peters, Cerolien H. G. Bastiaenen, Boudewijn T. Brans, et el. Chapter 3 New Complexes of Ni(ll) and Cu(ll) with Tridentate ONO Schiff Base Ligand: Synthesis, Crystal Structures, Electrochemical and Theoretical Investigation by Mehdi Salehi, Fetemeh Faghani, Maciej Kubicki, et el. Chapter 4 Application of Ferroelectric Materials for Improving Output Power of Energy Harvesters by Tae Yun Kim, Sung Kyun Kim and Sang-Woo Kim Chapter 5 A Density Functional Theory Study of Reactions of Relevance to Catalytic Hydrocarbon Synthesis and Combustion by Mina Arya, Joakim Niklasson, Abas Mohsenzadeh, et al. Chapter 6 Vibrational Spectral Analysis, XRD-Structure, Computation, exo? Endo Isomerization and Non-Linear Optical Crystal of 5-[(5-chloro-lH-indol-2-yl)methylene]-l,3-diethyl-2-thioxodihy- dropyrimidine-4,6 (1H,5H)-dione by Mezna Saleh Altowyan, Assem Barakat, Abdullah Mohammed AI-Majid, et al. Chapter 7 Theoretical Study of Phase Stability, Crystal and Electronic Structure of MeMgN2 (Me = Ti, Zr, Hf) Compounds by M. A. Gharavi, R. Armiento, B. Ailing, et al. Chapter 8 Crystal Structure, Phase Transitions and Vibrations of HjO Molecules in [Ca( H 20 )2]( ReO4)2 by Joanna Hetmanczyk, tukasz Hetmanczyk and Wojciech Nitek Chapter 9 Lead-Free Halide Double Perovskite Materials: A New Superstar toward Green and Stable Optoelectronic Applications by Liang Chu, Waqar Ahmad, Wei Liu, et al. Chapter 10 Reaction Mechanism of Formate Dehydrogenase Studied by Computational Methods by Geng Dong and Ulf: Ryde Chapter 11 Effect of Substrate Chemistry on Prenucleation by C. M. Fang, H. Men and Z. Fan Chapter 12 Rotamer Modelling of Cu(ll) Spin Labels Based on the Double- Histidine Motif by Shreya Ghosh, Sunil Saxena and Gunnar Jeschke Chapter 13 The Ternary Bi-Mn-Sb Phase Diagram and the Crystal Structure of the Ternary T Phase Bi0.8MnSb0.2 by Peter Kainzbauer, Klaus W. Richter, Herta S. Effenberger, et al. Chapter 14 Silverland: The Realm of Compounds of Divalent Silver--and Why They Are Interesting by Wojciech Grochala Chapter 15 Microwave Synthesis, Crystal Structure, Antioxidant, and Antimicrobial Study of New 6-heptyl-5,6-dihydrobenzo[4,5] imidazo[1,2-clquinazoline Compound by Hiba Ali Hasan, Emilia Abdulmalek, Mohd Basyaruddin Abdul Rahman, et al. Chapter 16 Impact of the APhe Configuration on the Boc-Gly-APhe-NHMe Conformation: Experiment and Theory by Aneta Buczek, Dawid Siodtak, Maciej Bujak, et al. Chapter 17 Systematic Theoretical Study of [001] Symmetric Tilt Grain Boundaries in MgO from 0 to 120GPa by Pierre Hirel, Gabriel Franck Bouobda Moladje, Philippe Carrez, et al. Chapter 18 The Phase Diagrams of KCaF3 and NaMgF3 by ab Initio Simulations by Clement Jakymiw, Lidunka Voaadlo, David P. Dobson, et al. Chapter 19 Spectroscopic Characterization and Crystal Structures of Four Hydrochloride Cathinones: N-ethyl-2-amino-l-phenylhexan-1 -one (hexen, NEH), N-methyl-2- amino-l-(4-methylphenyl)-3- methoxypropan-l-one (mexedrone), N-ethyl-2-ami - (3,4-methylenedioxyphenyl) pentan-l-one (ephylone) and N-butyl-2-amino-l-(4-chlorophenyl)propan-l-one ( 4-ch lorobutylcath inone ) by Piotr Ku~, Marcin Rojkiewicz, Joachim Kusz, et al. Chapter 20 Structural Determinants Influencing Halogen Bonding: A Case Study on Azinesulfonamide Analogs of Aripiprazole as 5-HT1A, 5-HTT, and D2receptor Ligands by Krzysztof Marciniec, Raf