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Journal of Molecular Graphics & Modelling|September 18, 2021
Extremely large static and dynamic nonlinear optical response of small superalkali clusters NM3M' (M, M'=Li, Na, K)Atazaz Ahsin, Khurshid AyubJournal of Molecular Graphics & Modelling|May 13, 2021
Oxacarbon superalkali C3X3Y3 (X = O, S and Y = Li, Na, K) clusters as excess electron compounds for remarkable static and dynamic NLO responseAtazaz Ahsin, Khurshid AyubJournal of Molecular Graphics & Modelling|October 4, 2020
Alkaline earth metals serving as source of excess electron for alkaline earth metals to impart large second and third order nonlinear optical response; a DFT studyAtazaz Ahsin, Akhtar Ali, Khurshid AyubRSC Advances|April 15, 2022
Germanium-based superatom clusters as excess electron compounds with significant static and dynamic NLO response; a DFT studyAtazaz Ahsin, Ahmed Bilal Shah, Khurshid AyubScience and Technology of Advanced Materials|June 5, 2024
Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electridesAtazaz Ahsin, Aamna Qamar, Qing Lu, et al.Physical Chemistry Chemical Physics : PCCP|December 5, 2024
Stacking interactions in stabilizing supramolecular assembly of M[9C]2M complexes: dynamic stability with remarkable nonlinear optical featuresAtazaz Ahsin, Aamna Qamar, Sadegh Kaviani, et al.ACS Omega|April 1, 2024
Polaron Formation in Conducting Polymers: A Novel Approach to Designing Materials with a Larger NLO ResponseAtazaz Ahsin, Iqra Ejaz, Sehrish Sarfaraz, et al.RSC Advances|May 29, 2024
Superalkali nature of the Si9M5 (M = Li, Na, and K) Zintl clusters: a theoretical study on electronic structure and dynamic nonlinear optical propertiesAtazaz Ahsin, Aamna Qamar, S Muthu, et al.Molecules (Basel, Switzerland)|February 25, 2023
Geometric, Electronic, and Optoelectronic Properties of Carbon-Based Polynuclear C3O[C(CN)2]2M3 (where M = Li, Na, and K) Clusters: A DFT StudyImene Bayach, Atazaz Ahsin, Safi Ullah Majid, et al.Heliyon|November 13, 2023
Color properties and non-covalent interactions in hydrated (Z)-4-(1-cyano-2-(2,4,5-trimethoxyphenyl)-vinyl)pyridin-1-ium chloride salt: Insights from experimental and theoretical studiesEnrique Pérez-Gutiérrez, Atazaz Ahsin, Youness El Bakri, et al.Pageof 2