Ligand assisted Co(II) catalyzed direct C–H alkylation of aryl ketones with diverse alkyl halides.

Aniket Nigade, Saurabh Vinod Parmar  and  Vidya Avasar

Chemical Science, 2026.

DOI: https://doi.org/10.1039/D5SC09264G

Exploring the intricacies of inverse hydride shuttle catalysis in azabicyclic scaffold construction with contiguous stereocenters.

Damanpreet Kaur, Saurabh Parmar, and Vidya Avasare

Organic Chemistry Frontiers, 2025.

DOI: https://doi.org/10.1039/D5QO00627A

P,T-odd sensitivity parameters in open-shell molecules from relativistic coupled-cluster theory. 

Kaushik Talukdar, Vidya Avasare, and Sourav Pal 

Progress in Theoretical Chemistry and Physics (A book series). 2025.

DOI: https://doi.org/10.1007/978-3-031-85167-4_3

Designing Fe(II)NNN pincer complexes for base-free hydrogen production from methanol.

Damanpreet Kaur, Muhammed Anjad, and Vidya Avasare

ChemCatChem, 2025. 

DOI: https://doi.org/10.1002/cctc.202500528

Chemically robust cationic porous organic polymer (POP) for selective detection and removal of ReO4 as a surrogate of radioactive TcO4.

Kishalay Biswas, Gourab K. Dam, Supriti Mahanta, Anirban Roy, Saurabh Vinod Parmar, Vidya Avasare, Sujit K. Ghosh

Chemistry - A European Journal, 2025.

DOI: https://doi.org/10.1002/chem.202403931

Effect of transition metal variability in NNN-pincer complexes on catalytic CO2 reduction to methanol. 

Parmar, Saurabh V., and Vidya Avasare

Chemistry - A Asian Journal, 2025.

DOI: https://doi.org/10.1002/asia.202401433

Tribromide enabled step-up generation of spirolactams from esters employing oxidative dearomatization of arenols. 

Barnali Roy, Vidya Avasare, and Debayan Sarkar

Chemical Communications, 2024. 

DOI: https://doi.org/10.1039/D4CC02527J

Engineered Electron-Deficient Sites at Boron-Doped Strontium Titanate/Electrolyte Interfaces Accelerate the Electrocatalytic Reduction of N2 to NH3: A Combined DFT and Experimental Electrocatalysis Study. 

Paras Kalra, Madhu Samolia, Aejaz Bashir, Vidya Avasare, and Pravin Ingole

ACS Applied Materials & Interfaces, 2024. 

DOI: https://doi.org/10.1021/acsami.4c05487

A synergic investigation of experimental and computational dual atom electrocatalysis for CO2 conversion to C1 and C2+ products. 

Saurabh, Damanpreet Kaur, and Vidya Avasare

Journal of Materials Chemistry A, 2024. 

DOI: https://doi.org/10.1039/D4TA02860K

Syn-aminoauration versus anti-aminoauration of alkynes in Au(I)/Au(III) catalysis: Understanding the origin of selectivity. 

Saurabh Parmar, and Vidya Avasare

The Journal of Organic Chemistry 89, No. 5 (2024): 2951–2963. 

DOI: https://doi.org/10.1021/acs.joc.3c02356

Machine learning-enabled predictions of condensed Fukui functions and designing of metal pincer complexes for catalytic hydrogenation of CO2. 

Saurabh Parmar, Pratham Deshmukh, Rutuja Sankpal, Siddhesh Watharkar, and Vidya Avasare

The Journal of Physical Chemistry A 127, no. 40 (2023): 9876–9888. 

DOI: https://doi.org/10.1021/acs.jpca.3c04494

Assessment of the catalytic performance of a heterogeneous Fe2C catalyst in the formation of multicarbon products from carbon dioxide.

Madhu Samolia, and Vidya Avasare

ACS Applied Energy Materials, 2023. 

DOI: https://doi.org/10.1021/acsaem.3c01283

Insights into the CO2 capture capacity of covalent organic frameworks. 

Parmar, Saurabh V., Nitesh Kumar, Mahesh Shewale, and Vidya Avasare

ChemPhysChem 24 (2023). 

DOI: https://doi.org/10.1002/cphc.202200808

A shuttle catalysis: Elucidating a true reaction mechanism involved in the palladium xantphos-assisted transposition of aroyl chloride and aryl iodide functional groups. 

Pooja Jain, Nitesh Kumar, and Vidya Avasare

The Journal of Organic Chemistry 87 (2022): 12547–12557. 

DOI: https://doi.org/10.1021/acs.joc.2c00193

Unraveling the effect of aromatic groups in Mn(I) NNN pincer complexes on carbon dioxide activation using density functional study. 

Saurabh Parmar, Vidya Avasare, and Subhashis Pal

Frontiers in Chemistry 9 (2021): 778718. 

DOI: https://doi.org/10.3389/fchem.2021.778718

Ascendancy of nitrogen heterocycles in the computationally designed Mn(I) PNN pincer catalysts on the hydrogenation of carbon dioxide to methanol.

Vidya Avasare

Inorganic Chemistry 61 (2021): 1851–1868. 

DOI: https://doi.org/10.1021/acs.inorgchem.1c02689

Computational exploration of the efficacy of Fe(II) PNN versus Fe(II) NNN pincer complexes in the hydrogenation of carbon dioxide to methanol. 

Vidya Avasare, Supriti Virani, Debdutta Das, and Subhashis Pal

The Journal of Physical Chemistry C 125 (2021): 24350–24362.

DOI: https://doi.org/10.1021/acs.jpcc.1c05918

Phosphine‐Free Ruthenium Complex for Hydrogenation of Carbonyl Compounds: Synthesis and Applications. 

K. Shashikumar, Suraj B. Maldode, Sachinkumar Sajjanar, Shivaprasad N. Hegde, Suribabu Sattineni, Dr. Vidya D. Avasare, Dr. Amol V. Gadakh, Dr. Sambasivam Ganesh, Dr. A. M. Sathiyanarayanan

ChemistrySelect 6 (2021): 8411–8415. 

DOI: https://doi.org/10.1002/slct.202101775

Hydrogen Bonding and Non-Covalent Interaction Assisted Nickel(0)-Catalysed Reversible Alkenyl Functional Group Swapping: A Computational Study. 

Pooja Jain, Rahul Shukla, Sourav Pal and  Vidya Avasare

Catalysis Science & Technology 10 (2020): 1747–1760. 

DOI: https://doi.org/10.1039/C9CY02486G

Mechanistic Investigations of Aluminum Nitrite Assisted Aryl Nitrile Synthesis through C(sp3)–C(sp2) Bond Cleavage of Aryl Ketones. 

Dharitri Das, Pooja Jain, Sourav Pal and Vidya Avasare

The Journal of Physical Chemistry C 123 (2019): 23439–23445. 

DOI: https://doi.org/10.1021/acs.jpcc.9b02529

Computational Approach to Unravel the Role of Hydrogen Bonding in the Interaction of NAMI-A with DNA Nucleobases and Nucleotides. 

Dharitri Das, Muntazir S Khan, Gayatree Barik, Vidya Avasare and Sourav Pal

The Journal of Physical Chemistry A 122 (2018): 8397–8411.

DOI: https://doi.org/10.1021/acs.jpca.7b12617

Ni(COD)2-Catalyzed Ipso-Silylation of 2-Methoxynaphthalene: A Density Functional Theory Study. 

Pooja Jain, Sourav Pal, and Vidya Avasare

Organometallics 37 (2018): 1141–1149.

DOI: https://doi.org/10.1021/acs.organomet.8b00046

Fenton’s Reagent Catalyzed Release of Carbon Monoxide from 1,3-Dihydroxyacetone. 

Tumpa Sadhukhan, Dharitri Das, Pratik Kalekar, Vidya Avasare, and Sourav Pal

The Journal of Physical Chemistry A 121 (2017): 4569–4577. 

DOI: https://doi.org/10.1021/acs.jpca.7b03676

Room‐Temperature Synthesis of TiO2 Nanospheres and Their Solar Driven Photoelectrochemical Hydrogen Production. 

Vidya Avasare, Z. Zhang, D. Avasare, I. Khan, and A. Qurashi

International Journal of Energy Research 39 (2015): 1714–1719. 

DOI: https://doi.org/10.1002/er.3372

Iron Pentacarbonyl Promoted Addition of CO and MeOH to 1,4-Disubstituted-1,3-Butadiyne and Formation of Vinylallyl and Butatriene Ligand Systems. 

P. Mathur, Vidya Avasare and Shaikh M. Mobin

Journal of Cluster Science 20 (2009): 399–415.

DOI: https://doi.org/10.1007/s10876-009-0247-4

Iron Pentacarbonyl Assisted Photochemical Route to 2,5- and 2,6-Divinyl-Substituted 1,4-Benzoquinones from 1-Ene-3-Ynes. 

P. Mathur, Vidya Avasare, and S. M. Mobin

Tetrahedron 64 (2008): 8943–8946. 

DOI: https://doi.org/10.1016/j.tet.2008.06.059

Mixed Metal Acetylide Complexes.

P. Mathur, S. Chatterjee, and Vidya Avasare

Advances in Organometallic Chemistry 55 (2007): 201–277. 

DOI: https://doi.org/10.1016/S0065-3055(07)55004-5

Formation of 5-Phenyl-1,2-Dithiole-3-Thione from Molybdenum Dithiopropiolato Complexes. 

P. Mathur, Vidya Avasare, A. K. Ghosh, and S. M. Mobin

Journal of Organometallic Chemistry 689 (2004): 1325–1327. 

DOI: https://doi.org/10.1016/j.jorganchem.2004.01.022