Surajit Nandi
Surajit Nandi
Senior Cheminformatics Analyst
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Molecular engineering of triphenylamine based aggregation enhanced emissive fluorophore: structure-dependent mechanochromism and self-reversible fluorescence switching
PS Hariharan, VK Prasad, S Nandi, A Anoop, D Moon, SP Anthony
Crystal Growth & Design 17 (1), 146-155, 2016
A p‐Hydroxyphenacyl–Benzothiazole–Chlorambucil Conjugate as a Real‐Time‐Monitoring Drug‐Delivery System Assisted by Excited‐State Intramolecular Proton …
S Barman, SK Mukhopadhyay, S Biswas, S Nandi, M Gangopadhyay, ...
Angewandte Chemie International Edition 55 (13), 4194-4198, 2016
Alteration of Electronic Band Structure via a Metal–Semiconductor Interfacial Effect Enables High Faradaic Efficiency for Electrochemical Nitrogen Fixation
A Biswas, S Nandi, N Kamboj, J Pan, A Bhowmik, RS Dey
ACS nano, 2021
Prebiotic Chemistry of HCN Tetramerization by Automated Reaction Search
S Nandi, D Bhattacharyya, A Anakuthil
Chemistry-A European Journal, 2018
Theoretical insights into CO2 hydrogenation to methanol by a Mn–PNP complex
C Mandal, Shyama, S Rawat, Kuber, S Nandi, B Pathak
Catalysis Science & Technology, 2019
Chemical promenades: Exploring potential‐energy surfaces with immersive virtual reality
M Martino, A Salvadori, F Lazzari, L Paoloni, S Nandi, G Mancini, ...
Journal of Computational Chemistry 41 (13), 1310-1323, 2020
A tabu-search based strategy for modeling molecular aggregates and binary reactions
S Nandi, SR McAnanama-Brereton, MP Waller, A Anoop
Computational and Theoretical Chemistry 1111, 69-81, 2017
Pd-catalyzed intramolecular sequential Heck cyclization and oxidation reactions: a facile pathway for the synthesis of substituted cycloheptenone evaluated using computational …
JK Ray, S Paul, P Ray, R Singha, DY Rao, S Nandi, A Anoop
New Journal of Chemistry 41 (1), 278-284, 2017
A coordination-assisted general approach to nickel-based nano metallogels
S Dey, D Datta, K Chakraborty, S Nandi, A Anoop, T Pathak
RSC Advances 3 (24), 9163-9166, 2013
Bis‐Acetyl Carbazole: A Photoremovable Protecting Group for Sequential Release of Two Different Functional Groups and Its Application in Therapeutic Release
Y Venkatesh, S Nandi, M Shee, B Saha, A Anoop, ND Pradeep Singh
European Journal of Organic Chemistry 2017 (41), 6121-6130, 2017
ESIPT-induced fluorescent o-hydroxycinnamate: a self-monitoring phototrigger for prompt image-guided uncaging of alcohols
A Paul, R Mengji, OA Chandy, S Nandi, M Bera, A Jana, A Anoop, ...
Organic & biomolecular chemistry 15 (40), 8544-8552, 2017
Viability of aromatic all-pnictogen anions
S Mandal, S Nandi, A Anoop, PK Chattaraj
Physical Chemistry Chemical Physics 18 (17), 11738-11745, 2016
Gas-Phase Formation and Isomerization Reactions of Cyanoacetaldehyde, a Prebiotic Molecule of Astrochemical Interest
B Ballotta, S Nandi, V Barone, S Rampino
ACS Earth and Space Chemistry 5, 1071-1082, 2021
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations
S Nandi, D Calderini, J Bloino, S Rampino, V Barone
International Conference on Computational Science and Its Applications, 401-412, 2019
A General User-Friendly Tool for Kinetic Calculations of Multi-Step Reactions within the Virtual Multifrequency Spectrometer Project
S Nandi, B Ballotta, S Rampino, V Barone
Applied Sciences 10 (5), 1872, 2020
Syntheses and Room Temperature Phosphorescence Properties of Dibenzobenzodithiophenes and Dibenzothiophenes
M Tsuboi, S Nakamura, S Nandi, P de Silva, Y Takeda, M Miura
Bulletin of the Chemical Society of Japan, 2021
MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methods
S Nandi, T Vegge, A Bhowmik
Scientific Data 10 (1), 783, 2023
Cheap turns superior: A linear regression-based correction method to reaction energy from DFT
S Nandi, J Busk, PB Jørgensen, T Vegge, A Bhowmik
J Chem Inf Model 62, 4727, 2022
First principles investigation on the applicability of ruthenium as a potential ORR catalyst
S Nandi, AS Nair, B Pathak
Journal of Chemical Sciences 132 (1), 1-9, 2020
Reducing Training Data Needs with Minimal Multilevel Machine Learning (M3L)
S Heinen, D Khan, GF von Rudorff, K Karandashev, DJA Arrieta, ...
arXiv preprint arXiv:2308.11196, 2023
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