Results 301 to 310 of about 51,216 (341)

Energy management of solar photovoltaic fed water pumping system based BLDC motor drive using NBO–SDRN approach

Electrical Engineering, 2023
K. P. Joshua, Lenin Vadugapalayam Rangasamy, Chinthalacheruvu Venkata Krishna Reddy, Rajangam Veeruchinnan   +3 more
semanticscholar   +1 more source

Intermolecular hydrogen bonds interactions in water clusters of ammonium sulfamate: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NBO analysis

Journal of Molecular Liquids, 2021
A. S. Kazachenko, F. Akman, H. Abdelmoulahi, Noureddine ISSAOUI, Y. N. Malyar, Omar M. Al-Dossary, M. Wójcik   +6 more
semanticscholar   +1 more source

Ein dreidimensionales Koordinationspolymer mit erweiterter NbO-Struktur

Angewandte Chemie, 1999
Die Kombination von quadratisch-planaren [Ni(CN)4]2−-Ionen mit Ph3Sn+-Ionen fuhrt zu 1, einem dreidimensionalen Koordinationspolymer mit einer erweiterten NbO-Struktur. Das (Ph3Sn)2Ni(CN)4-Gerust (schematisch ohne Phenylgruppen und Solvensmolekule dargestellt) enthalt einen grosen zentralen Hohlraum, der durch Ph3SnOH-, Acetonitril- und Wassermolekule ...
Tianyan Niu, Xiqu Wang, Allan J. Jacobson   +2 more
openaire   +1 more source

Hydrothermal synthesis and structures of Ba3(NbO)2(PO4)4 and Co3(NbO)2(PO4)4(H2O)10

Journal of Materials Chemistry, 2000
The new niobium phosphates Ba3(NbO)2(PO4)4 (1) and Co3(NbO)2(PO4)4(H2O)10 (2) have been synthesized in single crystal form by hydrothermal reactions at 250 °C and 170 °C respectively. The crystal structures have been determined from X-ray diffraction data. Both compounds contain NbP2O9 complex chains as a fundamental structural unit.
Xiqu Wang, Lumei Liu, Allan J. Jacobson
openaire   +1 more source

Spectroscopic investigation, DFT, NBO and TD-DFT calculation for porphyrin (PP) and porphyrin-based materials (PPBMs)

Journal of Molecular Structure, 2022
Mahmoud A. S. Sakr, M. A. Saad
semanticscholar   +1 more source

Experimental, quantum chemical and NBO/NLMO investigations of pantoprazole

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015
The complete vibrational assignment and analysis of the fundamental modes of pantoprazole (PPZ) was carried out using the experimental FT-IR, FT-Raman and UV-Vis data and quantum chemical studies. The observed vibrational data were compared with the wavenumbers derived theoretically for the optimized geometry of the compound from the DFT-B3LYP gradient
P, Rajesh, S, Gunasekaran, T, Gnanasambandan, S, Seshadri   +3 more
openaire   +2 more sources

Niobium persulfide complexes: synthesis and structural characterization of [Et4N][NbO(S2)2(bpy)]·DMF, [PPN][NbO(CS3)(S2)(bpy)] and [Et4N][NbO(S2C2(CO2Me)2)(S2)(bpy)]·DMF complexes

Polyhedron, 2001
The novel monomeric niobium persulfide complex, [Et 4 N][NbO(S 2 ) 2 (bpy)]·DMF ( I ) was synthesized by the reaction of NbO(SPh) 4 − with elemental sulfur in the presence of 2,2′-dipyridyl in DMF. The reaction of I with carbon disulfide (CS 2 ) and dimethylacetylene dicarboxylate (DMA) affords [PNP][NbO(CS 3 )(S 2 )(bpy)] ( II ) and [Et 4 N][NbO(S
Byung Ju Kim, Jung Woo Park, Sang Man Koo   +2 more
openaire   +1 more source

DFT, NBO, HOMO-LUMO, NCI, stability, Fukui function and hole – Electron analyses of tolcapone

, 2021
Antony Danish Isravel, Jebasingh Kores Jeyaraj, Sasitha Thangasamy, W. John   +3 more
semanticscholar   +1 more source

Health visitors' competences before and after implementing the newborn behavioral observations (NBO) system in a community setting: A cluster randomised study.

Public Health Nursing, 2019
OBJECTIVE To explore differences between health visitors' competences before and after implementing the newborn behavioral observations (NBO) system in four Danish municipalities.
I. Kristensen, Merethe Vinter, Inge K Nickell, Hanne Kronborg   +3 more
semanticscholar   +1 more source

Spectroscopic properties, NLO, HOMO–LUMO and NBO of maltol

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
Maltol (3-hydroxy-2-methyl-4pyrone) is widely known as metal ions chelator with many practical applications in catalysis, medicine and food chemistry. The FTIR and FT-Raman spectra of maltol have been recorded in the region 4000-400 and 4000-50 cm(-1), respectively.
V, Krishnakumar, D, Barathi, R, Mathammal, J, Balamani, N, Jayamani   +4 more
openaire   +2 more sources