Electron iso-density surfaces provide a thermodynamically consistent representation of atomic and molecular surfaces
A Alibakhshi, LV Schäfer - Nature Communications, 2024 - nature.com
The surface area of atoms and molecules plays a crucial role in shaping many
physiochemical properties of materials. Despite its fundamental importance, precisely …
physiochemical properties of materials. Despite its fundamental importance, precisely …
[HTML][HTML] Harvesting of shear piezoelectricity in a molded multicomponent crystal disc
S Bhattacharya, PA Cazade, K Hari, T Ryan… - Applied Materials …, 2024 - Elsevier
Biomolecular piezoelectrics, such as amino acids and peptides, exhibit significant shear
piezoelectric responses in single crystal form. However, naturally occurring longitudinal …
piezoelectric responses in single crystal form. However, naturally occurring longitudinal …
Verification of the Inverse Scale Effect Hypothesis on Viscosity and Diffusion by Azo-Amino Acid Schiff Base Copper Complexes
Y Wadayama, A Kaneda, T Imae, D Nakane… - Journal of Composites …, 2024 - mdpi.com
Microdroplets generated in microfluidic devices are attracting attention as a new chemical
reaction field and are expected to improve reactivity. One of the effects of microscaling is that …
reaction field and are expected to improve reactivity. One of the effects of microscaling is that …
[HTML][HTML] Organic Compounds Possessing the Plastic Crystalline Phase: Calculation of Their Fusion Enthalpies
MY Gorbachev, NN Gorinchoy - International Journal of Organic Chemistry, 2024 - scirp.org
For the first time, for different organic and inorganic compounds possessing the plastic
crystalline phase, a new semiempirical equation describing dependence of their fusion …
crystalline phase, a new semiempirical equation describing dependence of their fusion …
Stepwise ordering under nano-scale confinement in thin silica films
S Pramanik, RK Biswas… - … Journal of Modern …, 2024 - World Scientific
The phase transition from an amorphous 2D structure to a crystalline 3D structure under
confinement is a fascinating and challenging problem in materials science and condensed …
confinement is a fascinating and challenging problem in materials science and condensed …
Reconciling Experiment with Quantum Chemical Calculations: Electron Iso-Density Surfaces Represent Atomic and Molecular Surfaces
A Alibakhshi, LV Schäfer - 2024 - chemrxiv.org
The surface area of atoms and molecules plays a crucial role in shaping many
physiochemical properties of materials. Despite its fundamental importance, precisely …
physiochemical properties of materials. Despite its fundamental importance, precisely …