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Nature Materials, ISSN 1476-1122, 04/2010, Volume 9, Issue 4, pp. 359 - 367
Journal Article
Nature Communications, ISSN 2041-1723, 07/2014, Volume 5, Issue 1, p. 4348
The strength of the thiol-gold interactions provides the basis to fabricate robust self-assembled monolayers for diverse applications. Investigation on the... 
SELF-ASSEMBLED MONOLAYERS | ATOMIC-FORCE MICROSCOPY | MECHANISM | SINGLE-MOLECULE JUNCTIONS | MULTIDISCIPLINARY SCIENCES | SURFACE | OPTICAL-ACTIVITY | COVALENT BOND | RUPTURE FORCE | IN-SITU | ALKANETHIOL MONOLAYERS
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 10/2017, Volume 38, Issue 26, pp. 2276 - 2282
A numerically efficient yet highly accurate implementation of the crystal orbital Hamilton population (COHP) scheme for plane‐wave calculations is presented.... 
crystal orbital Hamilton population | phase transition | bonding | indium nanowires | density functional theory | NORM-CONSERVING PSEUDOPOTENTIALS | MOLECULAR-DYNAMICS | ELECTRONIC-STRUCTURE CALCULATIONS | CHEMISTRY, MULTIDISCIPLINARY | PROJECTION | POPULATION ANALYSIS | SOLIDS | SYSTEMS | BASIS-SETS | CHAINS | PLANE-WAVE | Density functionals
Journal Article
Molecules, ISSN 1420-3049, 11/2017, Volume 22, Issue 11, p. 2034
In the present work an in depth deep electronic study of multicenter XBs (FX) /NH₃ (X = Cl, Br and n = 1-5) is conducted. The ways in which X∙∙∙X lateral... 
IQA scheme | Covalence | Multiple bonds | Halogen bond | QTAIM | Models, Molecular | Halogens - chemistry | Algorithms | Kinetics | Models, Chemical | Molecular Conformation | Charge density | Bromine | Ammonia | Chlorine | Energy measurement | Molecular interactions | Bonding strength | Chemical bonds | Electron charge distribution | Quantum theory | halogen bond | covalence | multiple bonds
Journal Article
Cement and Concrete Research, ISSN 0008-8846, 11/2016, Volume 89, pp. 80 - 86
Here, we introduce a nozzle injection technique for carbon fiber-reinforced cement paste leading to unidirectional alignment of cement-embedded short carbon... 
Bending strength | Mechanical properties | Fiber reinforcement | Cement paste | Dispersion | DESIGN | REINFORCED CEMENT | COMPOSITES SHCC | BEHAVIOR | MATERIALS SCIENCE, MULTIDISCIPLINARY | MECHANICAL-PROPERTIES | OZONE TREATMENT | CONSTRUCTION & BUILDING TECHNOLOGY | FRC | PERFORMANCE PRINTING CONCRETE | TENSILE | BOND STRENGTH | Exhibitions | Analysis | Cement
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 03/2016, Volume 22, Issue 12, pp. 4087 - 4099
The intrinsic bond strength of C2 in its 1Σg+ ground state is determined from its stretching force constant utilizing MR‐CISD+Q(8,8), MR‐AQCC(8,8), and... 
bond strength | ab initio calculations | force constants | quadruple bonds | carbon | space confinement analysis
Journal Article