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Journal of Cluster Science, ISSN 1040-7278, 11/2019
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 08/2019, Volume 2136, Issue 1
Theoretical and electronic properties of CdTe quantum dots (QDs) in water medium have been investigated experimentally and computationally in the present work.... 
Quantum confinement | Energy gap | Aqueous solutions | Photovoltaic cells | Computation | Quantum dots | Cadmium tellurides | Optical properties | Aqueous environments | Clusters | Absorption spectra
Journal Article
Chemical Physics, ISSN 0301-0104, 09/2014, Volume 441, pp. 93 - 100
Encapsulation of Indole-7-Carboxaldehyde ( ) inside nano sized cyclodextrin ( -, -, -) cavities have been investigated by theoretical (PM3, HF, DFT, ONIOM... 
Stoichiometry | Cyclodextrin | Intermolecular hydrogen bonding (IerHB) | Inclusion complex
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 08/2019, Volume 2136, Issue 1
The nonlinear optical (NLO) property of the pyrrole derivatives have been calculated using polarizability and first order hyperpolarizability components.... 
Energy gap | Dipole moments | Derivatives | Charge transfer | Optical properties
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 08/2018, Volume 2009, Issue 1
Using DFT calculations, we have studied the size-dependent properties of (CdTe)nnano sized quantum dots (QDs) (n=1–9) in polar (water) and nonpolar (gas and... 
Energy gap | Stability | Quantum dots | Toluene | Cadmium tellurides
Journal Article
Chemical Physics, ISSN 0301-0104, 09/2014, Volume 441, p. 93
Display Omitted 
Cyclodextrins
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 05/2016, Volume 1731, Issue 1
Micellar systems have attracted a great deal of interest, especially in the field of biomedical sciences. The paper deals with the encapsulation behavior of... 
PCL | TWEEN 80 | SDS | drug carrier | Sodium dodecyl sulfate | Drug carriers | Photoluminescence | Biocompatibility | Polymers | Raman spectroscopy | Polyoxyethylene sorbitan monooleate
Journal Article
Journal of molecular modeling, 07/2017, Volume 23, Issue 7, p. 216
The interaction of external water molecules with hydrated pyrrole-2-carboxaldehyde PCL/(H O) complexes was investigated. The work was supported by both... 
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 08/2018, Volume 2009, Issue 1
The nonlinear optical (NLO) activity of di amine substituted tetraphenylethylene (TPE-di NH2) have been investigated by computed polarizability (α), first... 
Substitutes | Energy gap | Computation | Optical properties | Ionization potentials | Molecular orbitals | Density functional theory | Investigations
Journal Article
Journal of Luminescence, ISSN 0022-2313, 02/2019, Volume 206, pp. 105 - 112
L-Glutathione functionalized CdSeS/ZnS quantum dots (QDs) were synthesized and tested as sensor for the detection of environmentally hazardous metal ions (Pb ,... 
Fluorescence | Pb2+, Zn2+ and Cr3+ ions | L-GSH-CdSeS/ZnS QDs | and Cr | ions | Zn | NANOPARTICLES | QDS | PHOTOLUMINESCENCE | SURFACE | CORE/SHELL NANOCRYSTALS | OPTICS | CDSE | CDTE | PROBE | Zinc compounds | X-ray spectroscopy | Sensors | Analysis
Journal Article
Inorganic Chemistry Communications, ISSN 1387-7003, 02/2020, Volume 112, p. 107723
Nanomaterials have secured an enduring position as a promising contender for various biological applications. Quantum dot (QD) is one such example of nano... 
Diagnostics | Toxicity | Cell death | MCF-7 | CdSeS/ZnS quantum dot | Biocompatible | Cancer
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 10/2017, Volume 185, pp. 198 - 206
The present paper represents dominant effects of hydrogen bonding on the existence of different molecular aggregates in one of the heterocyclic pyrrole system:... 
AIMs | Raman spectra | Dimer | Monomer | ACID | PYRROLE | SPECTROSCOPY | STATE PROTON-TRANSFER | DENSITY-FUNCTIONAL THERMOCHEMISTRY | EXCHANGE | DERIVATIVES | Hydrogen | Hydrogen bonding | Analysis | Computer storage devices | Raw materials | Raman spectroscopy
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 10/2012, Volume 548, pp. 71 - 79
► ESIPT occurs in Indole-7-Carboxaldehyde in the form of dual fluorescence ( → ). ► Two minima in PES for occurs due to (zwitterion) and (normal) conformers. ►... 
DENSITY | PROTEIN | FLUORESCENCE | SPECTROSCOPY | MECHANISM | POLARITY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | PHOTOPHYSICS | DYNAMICS | CHEMISTRY, PHYSICAL | PHOTOCHEMISTRY | SPECTRA | Protons | Hydrogen
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 09/2014, Volume 612, pp. 25 - 32
Possibility of ground/excited state intramolecular proton transfer (GSIPT/ESIPT) have been studied in 2-acetyl-pyrrole (2AP) by theoretical (TDDFT, CASSCF)... 
DENSITY | 2-ACETYLPYRROLE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | PHOTOPHYSICS | CHEMISTRY, PHYSICAL | STATE | PROTON-TRANSFER | EMISSION | Fluorescence | Hydrogen | Thiophene | Analysis | Force and energy
Journal Article
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 01/2012, Volume 116, Issue 1, pp. 223 - 230
Journal Article
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