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Investigation of superacidic behavior of hydrogenated FemFn (m = 1/2, n = 1–6/11) complexes and their abilities to form supersalts

Structural chemistry, 2023-08, Vol.34 (4), p.1385-1393

2023

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Protonated MF– (M=Au, Ir, Os, Re, Ta, W) behave as superacids and are building blocks of new class of salt

Structural chemistry, 2022-02, Vol.33 (1), p.91-100

2022

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Microwave-assisted green synthesis of silver nanoparticles using Mitragyna parvifolia bark extract and their biological activities: an economical and environment-friendly approach

Green chemistry letters and reviews, 2024-12, Vol.17 (1)

2024

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Molecular Docking and Comparative Vibrational Spectroscopic Analysis, HOMO-LUMO, Polarizabilities, and Hyperpolarizabilities of N-(4-Bromophenyl)-4-Nitrobenzamide by Different DFT (B3LYP, B3PW91, and MPW1PW91) Methods

Polycyclic aromatic compounds, 2021-02, Vol.41 (2), p.387-399

2021

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Theoretical Study of Transition Metal Oxide Clusters ($TM_nO_m$) [(TM-Pd, Rh, Ru) and ($n, m =1, 2)$]

Journal of Atomic and Molecular Sciences, 2012-11, Vol.3 (4), p.297-307

2012

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Numerical simulation and modelling of a novel MEMS capacitive accelerometer based microphone for fully implantable hearing aid

Microsystem technologies : sensors, actuators, systems integration, 2019-02, Vol.25 (2), p.399-411

2019

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A microelectromechanical system (MEMS) capacitive accelerometer-based microphone with enhanced sensitivity for fully implantable hearing aid: a novel analytical approach

Biomedizinische Technik, 2020-12, Vol.65 (6), p.735-746

2020

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Comparative Study of Molecular Docking, Structural, Electronic, and Fukui Function Studies on Favipiravir and its Newly Designed Derivatives (Potential Inhibitors) for COVID‐19 Protease

Macromolecular symposia., 2023-02, Vol.407 (1), p.n/a

2023

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Quantum Chemical Analysis and Effect of Super Alkali/Super Halogen Doping on the Opto-Electronic Properties of L-Lysine p-Nitrophenolatemonohydrate (LLPNP) Using First Principle

Polycyclic aromatic compounds, 2023-11, Vol.43 (10), p.8667-8689

2023

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Adsorption Effects of Isoniazid Drug Over Carbon Nanotube (C56H16) and Ab‐Initio Molecular Dynamics Simulation (ADMP) – A Computational Quantum Chemical Approach

Macromolecular symposia., 2024-10, Vol.413 (5), p.n/a

2024

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Structural, Vibrational and Electronic Properties of Small Group IV Oxide Clusters in Lower and Higher Spin State: A DFT Study

Journal of Atomic and Molecular Sciences, 2012-08, Vol.3 (3), p.187-196

2012

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Quantum Mechanical Study on the Structure and Vibrational Spectra of Cyclobutanone and 1,2-Cyclobutanedione

Journal of spectroscopy (Hindawi), 2013, Vol.2013 (2013), p.1-11

2013

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Sensitivity enhancement of a folded beam MEMS capacitive accelerometer-based microphone for fully implantable hearing application

Biomedizinische Technik, 2018-11, Vol.63 (6), p.699-708

2018

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Computational Study of Adsorption Effects of Karanjin Drug Over Carbon Nanotube (C56H16) as Factor of Drug Delivery System — A Quantum Chemical Approach

Nano : brief reports and reviews, 2021-08, Vol.16 (9)

2021

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New Class of Ionic Liquid Crystal Proposed by Using Quantum Chemical Calculation

Macromolecular symposia., 2024-10, Vol.413 (5), p.n/a

2024

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Vibrational spectra, HOMO, LUMO, MESP surfaces and reactivity descriptors of amylamine and its isomers: A DFT study

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-10, Vol.149, p.343-351

2015

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A Quantum Chemical Study on the Enormously Large Nonlinear Optical Response of Doped Endohedral Superalkali Na 2 F and Superhalogens MF 4 (M = B, Al) with CNT (C56H16) Cage

Macromolecular symposia., 2024-02, Vol.413 (1)

2024

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A Computational Quantum Chemical Approach for Surface Assimilation Effects of Well‐Known Voltage Sensitive Potassium Channel Blockers (4‐Aminopyridine and 3,4‐Diaminopyridine) over Carbon Nanotube

Macromolecular symposia., 2024-02, Vol.413 (1), p.n/a

2024

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A Quantum Chemical Study on the Enormously Large Nonlinear Optical Response of Doped Endohedral Superalkali Na2F and Superhalogens MF4 (M = B, Al) with CNT (C56H16) Cage

Macromolecular symposia., 2024-02, Vol.413 (1), p.n/a

2024

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Comparative study of molecular docking, structural, electronic, vibrational and hydrogen bonding interactions on 4-hydroxy benzo hydrazide (4HBH) and its newly designed derivative [(E)–N′-((1H-Pyrrol-2-YL)methylene) –4-hydroxy benzo hydrazide and its isomers (I, II and III)] (potential inhibitors) for COVID-19 protease

Main group chemistry, 2021-01, Vol.20 (3), p.295-315

2021

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Effect of Guest Particles on the Functional Dielectric Properties of Materials for Display Application

Macromolecular symposia., 2024-10, Vol.413 (5), p.n/a

2024

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Alkali Metal‐Doped Fullerenes as Hydrogen Storage—A Quantum Chemical Investigation

Macromolecular symposia., 2024-10, Vol.413 (5), p.n/a

2024

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Time‐Dependent Density Functional Theory, AIM Analysis, NLO, and Thermodynamic Properties of Propofol and Adsorption Effects of Propofol Drug over Carbon Nanotube (C56H16) as the Factor of Drug Delivery System

Macromolecular symposia., 2023-02, Vol.407 (1), p.n/a

2023

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Nail pitting in an infant with Kawasaki disease—A novel clinical finding

International journal of rheumatic diseases, 2024-09, Vol.27 (9), p.e15340-n/a

2024

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Investigation of superacidic behavior of hydrogenated Fe.sub.mF.sub.n complexes and their abilities to form supersalts

Structural chemistry, 2023-08, Vol.34 (4), p.1385

2023

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Investigation of superacidic behavior of hydrogenated FemFn (m = 1/2, n = 1–6/11) complexes and their abilities to form supersalts

Protonated MF– (M=Au, Ir, Os, Re, Ta, W) behave as superacids and are building blocks of new class of salt

Microwave-assisted green synthesis of silver nanoparticles using Mitragyna parvifolia bark extract and their biological activities: an economical and environment-friendly approach

Molecular Docking and Comparative Vibrational Spectroscopic Analysis, HOMO-LUMO, Polarizabilities, and Hyperpolarizabilities of N-(4-Bromophenyl)-4-Nitrobenzamide by Different DFT (B3LYP, B3PW91, and MPW1PW91) Methods

Theoretical Study of Transition Metal Oxide Clusters ($TM_nO_m$) [(TM-Pd, Rh, Ru) and ($n, m =1, 2)$]

Numerical simulation and modelling of a novel MEMS capacitive accelerometer based microphone for fully implantable hearing aid

A microelectromechanical system (MEMS) capacitive accelerometer-based microphone with enhanced sensitivity for fully implantable hearing aid: a novel analytical approach

Comparative Study of Molecular Docking, Structural, Electronic, and Fukui Function Studies on Favipiravir and its Newly Designed Derivatives (Potential Inhibitors) for COVID‐19 Protease

Quantum Chemical Analysis and Effect of Super Alkali/Super Halogen Doping on the Opto-Electronic Properties of L-Lysine p-Nitrophenolatemonohydrate (LLPNP) Using First Principle

Adsorption Effects of Isoniazid Drug Over Carbon Nanotube (C56H16) and Ab‐Initio Molecular Dynamics Simulation (ADMP) – A Computational Quantum Chemical Approach

Structural, Vibrational and Electronic Properties of Small Group IV Oxide Clusters in Lower and Higher Spin State: A DFT Study

Quantum Mechanical Study on the Structure and Vibrational Spectra of Cyclobutanone and 1,2-Cyclobutanedione

Sensitivity enhancement of a folded beam MEMS capacitive accelerometer-based microphone for fully implantable hearing application

Computational Study of Adsorption Effects of Karanjin Drug Over Carbon Nanotube (C56H16) as Factor of Drug Delivery System — A Quantum Chemical Approach

New Class of Ionic Liquid Crystal Proposed by Using Quantum Chemical Calculation

Vibrational spectra, HOMO, LUMO, MESP surfaces and reactivity descriptors of amylamine and its isomers: A DFT study

A Quantum Chemical Study on the Enormously Large Nonlinear Optical Response of Doped Endohedral Superalkali Na 2 F and Superhalogens MF 4 (M = B, Al) with CNT (C56H16) Cage

A Computational Quantum Chemical Approach for Surface Assimilation Effects of Well‐Known Voltage Sensitive Potassium Channel Blockers (4‐Aminopyridine and 3,4‐Diaminopyridine) over Carbon Nanotube

A Quantum Chemical Study on the Enormously Large Nonlinear Optical Response of Doped Endohedral Superalkali Na2F and Superhalogens MF4 (M = B, Al) with CNT (C56H16) Cage

Effect of Guest Particles on the Functional Dielectric Properties of Materials for Display Application

Alkali Metal‐Doped Fullerenes as Hydrogen Storage—A Quantum Chemical Investigation

Time‐Dependent Density Functional Theory, AIM Analysis, NLO, and Thermodynamic Properties of Propofol and Adsorption Effects of Propofol Drug over Carbon Nanotube (C56H16) as the Factor of Drug Delivery System

Nail pitting in an infant with Kawasaki disease—A novel clinical finding

Investigation of superacidic behavior of hydrogenated Fe.sub.mF.sub.n complexes and their abilities to form supersalts

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