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  • Remarkable static and dynamic NLO response of alkalis and superalkalis doped macrocyclic [hexa-]thiophene complexes; a DFT approach
  • Synthesis, Single Crystal X-Ray, Spectroscopic and Computational (DFT) Studies 2,1-benzothiazine based hydrazone derivatives
  • Nonlinear optical response of first-row transition metal doped Al12P12 nanoclusters; a first-principles study
  • Theoretical investigation of halides encapsulated [email protected] nanocages for potential applications as anodes for sodium ion batteries
  • First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic Properties; A detailed quantum chemical study
Faizan Ullah
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12 Jan
#publications

Remarkable static and dynamic NLO response of alkalis and superalkalis doped macrocyclic [hexa-]thiophene complexes; a DFT approach

by faizan
27 Dec
#publications

Synthesis, Single Crystal X-Ray, Spectroscopic and Computational (DFT) Studies 2,1-benzothiazine based hydrazone derivatives

by faizan
NLO response of TM doped Al12P12
24 Dec
#publications

Nonlinear optical response of first-row transition metal doped Al12P12 nanoclusters; a first-principles study

by faizan
31 Aug
#publications

Theoretical investigation of halides encapsulated [email protected] nanocages for potential applications as anodes for sodium ion batteries

by faizan
NLO response of TM doped B12P12
31 Aug
#publications

First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic Properties; A detailed quantum chemical study

by faizan
18 Aug
#publications

Superhalogen doping: A new and effective approach to design materials with excellent static and dynamic NLO response

by faizan
graphical abstract
23 May
#publications

Remarkable second and third order nonlinear optical properties of organometallic C6Li6−M3O electrides

by faizan
16 Feb
#publications

Cyclic versus straight chain oligofuran as sensor: A detailed DFT study

by faizan
Reorient-coordinates
22 Jan
#Tutorials

How to Reorient Coordinates of a Molecule

by faizan
Graphical Abstract
18 Dec
#publications

Alkaline Earth Metal Decorated Phosphide Nanoclusters for Potential applications as high performance NLO materials; A First Principle Study

by faizan
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