First theoretical framework of superalkali metals [M3X (M= Li, Na, k; X= O, S, F, N)] doped all-boron B38 nanocluster: A promising class of nonlinear optical materials …
Developing highly efficient nonlinear optical (NLO) materials is an area of frontier research.
For the first time, all-boron fullerene analogue B38 nanocluster is utilized for creating highly …
For the first time, all-boron fullerene analogue B38 nanocluster is utilized for creating highly …
Nonlinear optical (NLO) response of boron phosphide nanosheet by alkali metals doping: A DFT study
M Rashid, J Yaqoob, N Khalil, R Jamil, MU Khan… - Materials Science in …, 2022 - Elsevier
Nonlinear optical (NLO) materials have earned popularity in the research community due to
their widespread uses. For the first time, boron phosphide (BP) nanosheets doped with alkali …
their widespread uses. For the first time, boron phosphide (BP) nanosheets doped with alkali …
Deciphering the role of alkali metals (Li, Na, K) doping for triggering nonlinear optical (NLO) properties of t-graphene quantum dots: toward the development of giant …
Nanoscale nonlinear optical (NLO) materials have received huge attention of the scientists
in current decades because of their enormous applications in optics, electronics, and …
in current decades because of their enormous applications in optics, electronics, and …
Alkali metals doped cycloparaphenylene nanohoops: Promising nonlinear optical materials with enhanced performance
In the ongoing pursuit of novel and efficient NLO materials, the potential of alkali metal-
doped {6} cycloparaphenylene ({6} CPP) and methylene bridged {6} cycloparaphenylene …
doped {6} cycloparaphenylene ({6} CPP) and methylene bridged {6} cycloparaphenylene …
An effective strategy for tuning nonlinear optical response of N-atom functionalized corannulene by alkali metals doping: First theoretical insight
Nonlinear optical (NLO) materials are gaining immense scientific attention in recent years
due to their applications in diverse domains. An attempt is made for the first time in this study …
due to their applications in diverse domains. An attempt is made for the first time in this study …
Tuning nonlinear optical properties of tetracyclopentatetraphenylnene by superhalogens doping: Quantum chemical perspective of novel NLO materials for modern …
Fabrication of stable NLO materials is highly demanding because of their numerous
applications in optoelectronic and optical devices. This research attempts to theoretically …
applications in optoelectronic and optical devices. This research attempts to theoretically …
Driving forces and electronic structure in β-cyclodextrin/3, 3′-diaminodiphenylsulphone complex
Abstract The complexation of 3, 3′-diaminodiphenylsulphone (3DADPS) by β-cyclodextrin
(β-CD) was analyzed using PM6 method and several combinations of ONIOM2 hybrid …
(β-CD) was analyzed using PM6 method and several combinations of ONIOM2 hybrid …
Deciphering the impact of superalkali metals [M3O (M= Li, Na, K)] doping on sulflower for enhanced NLO responses with efficient energetic offsets: A density functional …
With the motive to enhance nonlinear optical (NLO) materials, the geometries, stabilities,
and NLO responses of superalkali metals [M 3 O (M= Li, Na, K)] doped sulflower (Octathio [8] …
and NLO responses of superalkali metals [M 3 O (M= Li, Na, K)] doped sulflower (Octathio [8] …
Structural, electronic and NLO properties of 6-aminoquinoline: a DFT/TD-DFT study
A computational study based on the DFT/TD-DFT approach was performed to explore
various properties of 6-aminoquinoline (6AQ). The geometrical parameters, molecular …
various properties of 6-aminoquinoline (6AQ). The geometrical parameters, molecular …
Molecular hybrids based on Pyrazole and 4-Thiazolidinone cores: Synthesis, characterization, and anticancer studies
M Mushtaque, MMA Rizvi - Journal of Molecular Structure, 2023 - Elsevier
A series of hybrid compounds (11a–d) bearing pyrazole (6a–d) and 4-thiazolidinone (10)
cores were synthesized and characterized. The molecular structure of the compounds was …
cores were synthesized and characterized. The molecular structure of the compounds was …