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Issue Date
Title
Author(s)
2021
Endo- and exohedral chloro-fulleride as η5 ligands: a DFT study on the first-row transition metal complexes
Anila, S
;
Suresh, C H
2021
Tuning the Donating Strength of Dye Sensitizers using Molecular Electrostatic Potential Analysis
Divya, V V
;
Suresh, C H
2021
Guanidine as a strong CO 2 adsorbent: a DFT study on cooperative CO 2 adsorption
Anila, S
;
Suresh, C H
2021
Design and DFT study of nitrogen-rich donor systems for improved photovoltaic performance in dye-sensitized solar cells
Divya, V V
;
Suresh, C H
2021-05-21
Ruthenium(II)-catalyzed regioselective 1,2-hydrosilylation of N‑heteroarenes and tetrel bonding mechanism
Behera, D
;
Thiyagarajan, S
;
Anjalikrishna, P K
;
Suresh, C H
;
Gunanathan, C
2021-07-15
Antiaromaticity–Aromaticity Interplay in Fused Benzenoid Systems Using Molecular Electrostatic Potential Topology
Anjalikrishna, P K
;
Gadre, S R
;
Suresh, C H
2021
Imidazolium–Fulleride Ionic Liquids – a DFT Prediction
Anila, S
;
Suresh, C H
2021
De Novo Design and Synthesis of Boomerang-Shaped Molecules and Their in Silico and SERS-Based Interactions with SARS-CoV-2 Spike Protein and ACE2
Linet, A
;
Joseph, M M
;
Haritha, M
;
Shamna, K
;
Varughese, S
;
Devi, P S
;
Suresh, C H
;
Maiti, K K
;
Neogi, I
2021
Electrostatic Potential Topology for Probing Molecular Structure, Bonding and Reactivity
Gadre, S R
;
Suresh, C H
;
Mohan, N
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Anila, S
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Anjalikrishna, P K
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Divya, V V
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Behera, D
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Devi, P S
1
Gunanathan, C
1
Haritha, M
1
Joseph, M M
1
Linet, A
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