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Physical Chemistry Chemical Physics : PCCP|February 29, 2024
Effect of interlayer slipping on the geometric, thermal and adsorption properties of 2D covalent organic frameworks: a comprehensive review based on computational modelling studiesHasnain SajidJournal of Molecular Modeling|September 28, 2017
An accurate comparative theoretical study of the interaction of furan, pyrrole, and thiophene with various gaseous analytesHasnain Sajid, Tariq Mahmood, Khurshid AyubACS Applied Materials & Interfaces|April 20, 2026
High-Throughput Screening for Practical Applications of Metal-Organic Frameworks to Advanced Water-Based Thermal Storage TechnologiesHasnain Sajid, Jean Duquette, Ronald E MillerJournal of Molecular Modeling|April 2, 2021
Effective adsorption of A-series chemical warfare agents on graphdiyne nanoflake: a DFT studyHasnain Sajid, Sidra Khan, Khurshid Ayub, et al.Journal of Molecular Graphics & Modelling|March 3, 2020
Cyclic versus straight chain oligofuran as sensor: A detailed DFT studyHasnain Sajid, Faizan Ullah, Khurshid Ayub, et al.Journal of Molecular Graphics & Modelling|July 27, 2020
High sensitivity of graphdiyne nanoflake toward detection of phosgene, thiophosgene and phosogenoxime; a first-principles studySidra Khan, Hasnain Sajid, Khurshid Ayub, et al.Physical Chemistry Chemical Physics : PCCP|April 26, 2024
Anodic voltage performance of conducting polymer-functionalized boron nitride nanosheets: a DFT assessmentChidera C Nnadiekwe, Hasnain Sajid, Ismail Abdulazeez, et al.RSC Advances|April 15, 2022
Remarkable static and dynamic NLO response of alkali and superalkali doped macrocyclic [hexa-]thiophene complexes; a DFT approachHasnain Sajid, Faizan Ullah, Sidra Khan, et al.The Science of the Total Environment|February 17, 2022
Potential sensing of toxic chemical warfare agents (CWAs) by twisted nanographenes: A first principle approachNaila Sattar, Hasnain Sajid, Sobia Tabassum, et al.Journal of Molecular Graphics & Modelling|April 17, 2023
Therapeutic potential of oxo-triarylmethyl (oxTAM) as a targeted drug delivery system for nitrosourea and fluorouracil anticancer drugs; A first principles insightMisbah Asif, Hasnain Sajid, Khurshid Ayub, et al.Pageof 2