Critical assessment of the performance of density functional methods for several atomic and molecular properties

KE Riley, BT Op't Holt, KM Merz - Journal of chemical theory and …, 2007 - ACS Publications
The reliable prediction of molecular properties is a vital task of computational chemistry. In
recent years, density functional theory (DFT) has become a popular method for calculating …

Raman scattering of linear chains of strongly coupled Ag nanoparticles on SWCNTs

JC Valmalette, Z Tan, H Abe, S Ohara - Scientific Reports, 2014 - nature.com
We compare the Raman scattering properties of hybrid nanostructures consisting of Ag
nanoparticles (NPs) in disordered and aligned arrangements on single-walled carbon …

[HTML][HTML] Interfacial built-in electric field in 2D Ni (OH) 2 heterojunction with the sodium organic compound for enhanced oxygen evolution catalysis

J Zhou, M Zhang, B Ren, Q Yi, H Yu, B Zhang… - Chemical Engineering …, 2025 - Elsevier
Oxygen evolution involves a complex four-electron transfer process with sluggish reaction
kinetics which leads to large cell voltages, limiting the practical applications of …

Calorimetric investigation of m-methoxyphenol effect on Chromobacterium violaceum activity in soil

DA Oliveira, N Barros, C Airoldi - Thermochimica acta, 2008 - Elsevier
The microbial activity of Chromobacterium violaceum inoculated in sterile and natural red
latosol soil samples was monitored by calorimetry to investigate metabolism of the native …

[TRÍCH DẪN][C] دراسة العلاقة بين البنية الكيميائية والنشاط البيولوجي لبعض المركبات الكيتونية المقترحة كعلاج لأمراض القلب الوعائية

أبوراوي, تهاني عبدالسلام, ابشير, مفتاح محمد - 2017‎ - Scientific Journal of Faculty of …