Designing metal-free organic superalkalis by modifying benzene: a theoretical perspective von Sarkar, Subhendu, Debnath, Tanay, Das, Abhijit K.

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Atmospheric Fate of Criegee Intermediate Formed During Ozonolysis of Styrene in the Presence of H2O and NH3: The Crucial Role of Stereochemistry von Banu, Tahamida, Sen, Kaushik, Das, Abhijit K

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Development of Maize Hybrids With Enhanced Vitamin-E, Vitamin-A, Lysine, and Tryptophan Through Molecular Breeding von Das, Abhijit K., Gowda, Munegowda M., Muthusamy, Vignesh, Zunjare, Rajkumar U., Chauhan, Hema S., Baveja, Aanchal, Bhatt, Vinay, Chand, Gulab, Bhat, Jayant S., Guleria, Satish K. K., Saha, Supradip, Gupta, Hari S., Hossain, Firoz

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Superalkalis with Hydrogen as Central Electronegative Atom and their Possible Applications: Ab Initio and DFT Study von Sarkar, Subhendu, Debnath, Tanay, Das, Abhijit K.

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Performance of dispersion-corrected double hybrid density functional theory: a computational study of OCS-hydrocarbon van der Waals complexes von Pakhira, Srimanta, Sen, Kaushik, Sahu, Chandan, Das, Abhijit K

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Visible Light-Induced Regioselective E to Z Isomerization of Polarized 1,3-Dienes: Experimental and Theoretical Insights von Saha, Jayanta, Banerjee, Soumadip, Malo, Sidhartha, Bankura, Abhijit, Ghosh, Avik, Das, Abhijit K.

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UV-assisted photochemical transformation of a tetranuclear copper() complex: a DFT supported study on β-lactamase inhibitory activity towards antibiotic resistance von Biswas, Sneha, Karim, Suhana, Bhunia, Pradip, Banerjee, Soumadip, Das, Abhijit K, Das, Debasis

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Rational Design of Highly Porous Donor-Acceptor Based Conjugated Microporous Polymer for Photocatalytic Benzylamine Coupling Reaction von Bhattacharjee, Sudip, Mondal, Sumanta, Ghosh, Anirban, Banerjee, Soumadip, Das, Abhijit K, Bhaumik, Asim

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Construction of a series of pH stable Ca-based MOFs, their CO2 adsorption and catalytic activity von Bhattacharjee, Sudip, Chakraborty, Tonmoy, Banerjee, Soumadip, Das, Abhijit K, Bhaumik, Asim

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Effect of O-substitution in imidazole based Zn() dual fluorescent probes in the light of arsenate detection in potable water: a combined experimental and theoretical approach von Biswas, Sneha, Chowdhury, Tania, Ghosh, Avik, Das, Abhijit K, Das, Debasis

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A Computational Study of Detoxification of Lewisite Warfare Agents by British Anti-lewisite: Catalytic Effects of Water and Ammonia on Reaction Mechanism and Kinetics von Sahu, Chandan, Pakhira, Srimanta, Sen, Kaushik, Das, Abhijit K

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Construction of a series of pH stable Ca-based MOFs, their CO 2 adsorption and catalytic activity von Bhattacharjee, Sudip, Chakraborty, Tonmoy, Banerjee, Soumadip, Das, Abhijit K, Bhaumik, Asim

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Improving the Efficiency of Luminescent Zn(II)‐Modified N‐Doped GOQD Nanomaterials in Parkinson's Disease Treatment: A Theoretical Mechanistic Framework Exploring Doping Effect von Biswas, Sneha, Chowdhury, Tania, Banerjee, Soumadip, Dutta, Koushik, Das, Abhijit K., Das, Debasis

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Exploring the effect of external dopants on the electride characteristics of bimetallic sandwich complexes based on the B4N4H8 ligand, M2(B4N4H8)2Ca2 (M = Na and K) von Ria Sinha Roy, Ghosh, Avik, Banerjee, Soumadip, Das, Abhijit K

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ZnAl2O4 Nanomaterial as a Naked-Eye Arsenate Sensor: A Combined Experimental and Computational Mechanistic Approach von Chowdhury, Tania, Chakraborty, Tonmoy, Ghosh, Avik, Das, Abhijit K., Das, Debasis

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New kind of electride sandwich complexes based on the cyclooctatetraene ligand M 1 2 (η 8 -C 8 H 8 ) 2 M 2 2 (M 1 = Na, K and M 2 = Ca, Mg): a theoretical study von Sinha Roy, Ria, Ghosh, Avik, Banerjee, Soumadip, Ghosh, Suniti, Das, Abhijit K

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Dehydrogenation of ammonia–borane to functionalize neutral and Li+-encapsulated C60, C70 and C36 fullerene cages: a DFT approach von Ghosh, Avik, Banerjee, Soumadip, Debnath, Tanay, Das, Abhijit K

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Structure, stability, and dissociation of small ionic silicon oxide clusters [SiO(n)+ (n = 3, 4)]: insight from density functional and topological exploration von Sen, Kaushik, Ghosh, Deepanwita, Pakhira, Srimanta, Banu, Tahamida, Das, Abhijit K

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Dehydrogenation of ammonia-borane to functionalize neutral and Li + -encapsulated C 60 , C 70 and C 36 fullerene cages: a DFT approach von Ghosh, Avik, Banerjee, Soumadip, Debnath, Tanay, Das, Abhijit K

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Self-Healable Hydrogels from Vegetable Oil: Preparation, Mechanism, and Applications von Mukherjee, Chandrapaul, Ghosh, Avik, M, Tamilarasi, Ravishankar, Kartik, Das, Abhijit K., Selvaraj, Mariappan, Chaudhuri, Saikat, Sarkar, Jit

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