Results 51 to 60 of about 641,026 (297)
SiCCO and CCCO: accurate equilibrium structures and spectroscopic constants
, 2005 Cubic force fields have been calculated for SiCCO and CCCO by means of the coupled cluster variant CCSD(T) and Dunning's cc-pVQZ basis set. There from, a variety of spectroscopic constants (harmonic vibrational wavenumbers, vibration-rotation coupling ...
Botschwina, Peter
core +1 more source
Adenosine triphosphate as a modulator of protein interactions and stability
FEBS Open Bio, EarlyView.ATP is best known as the cell's energy currency, but it also shapes how proteins fold, interact, aggregate and form biomolecular condensates. This review explains the emerging physical principles behind these effects, including weak binding to charged protein regions, magnesium‐dependent behaviour and concentration‐dependent control of protein ...
Shuyuan Tan, Robin Curtis
wiley +1 more source
AtomsIn this work, a comprehensive theoretical investigation is carried out to explore the electronic and spectroscopic properties of selected diatomic molecular ions MgRb+ and SrRb+. Using high-level ab initio calculations based on a pseudopotential approach,
Mohamed Farjallah +3 more
doaj +1 more source
Journal of the Turkish Chemical Society, Section A: Chemistry, 2019 The binding mechanism and polymer–fluorescence probe interactions between polyethyleneimine (PEI) and Rose Bengal (RB) was investigated by using UV–Vis absorption, steady- state and time-resolved fluorescence spectroscopy techniques since they remain ...
TUĞBA BAYRAKTUTAN
doaj +1 more source
Optical Constants by Ellipsometry [PDF]
, 1969 The standard technique of ellipsometry allows the determination of the optical constants of a substrate material provided either the surface is free of an oxide film or the oxide film thickness and optical constants of this oxide film are known.
Rowe, Ernest
core
Advanced Engineering Materials, Volume 27, Issue 6, March 2025.ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur +5 more
wiley +1 more source
Spectroscopic ellipsometry on thin films of conjugated polymers [PDF]
, 2001 This work presents results from spectroscopic ellipsometry measurements of thin films of conjugated polymers constructed by spin casting with rapid solvent evaporation.
Tammer, Michael
core
Advanced Engineering Materials, EarlyView.Low‐cycle fatigue damage in Mn–Mo–Ni reactor pressure vessel steel is examined using a combined electron backscatter diffraction and positron annihilation lifetime spectroscopy approach. The study correlates texture evolution, dislocation substructure development, and vacancy‐type defect formation across uniform, necked, and fracture regions, providing
Apu Sarkar +2 more
wiley +1 more source
四川大学学报. 自然科学版, 2018 Optimization calculation is performed using different basis sets and methods for the ground state()of BeH molecule. Result show that the multi-reference configuration interaction(MRCI) method with aug-cc-pVQZ basis set for BeH molecule is the best group ...
ZHANG Xue-Fu +3 more
doaj
Theoretical laser cooling feasibility study of ZrH molecule at the fine structure level
Frontiers in ChemistryA theoretical electronic structure calculation of the ZrH molecule is conducted via ab initio Complete Active Space Self-Consistent Field and the Multireference Configuration Interaction with Davidson correction calculation (CASSCF/MRCI + Q).
Ghina Chamieh +3 more
doaj +1 more source