E-LIB Suche - Ergebnisse für: Surajit Nandi

1

Reducing training data needs with minimal multilevel machin..:

Heinen, Stefan ; Khan, Danish ; Falk von Rudorff, Guido...
Machine Learning: Science and Technology. 5 (2024) 2 - p. 025058 , 2024

Link: https://doi.org/10.1088/..

2

MultiXC-QM9: Large dataset of molecular and reaction energi..:

Nandi, Surajit ; Vegge, Tejs ; Bhowmik, Arghya
Scientific Data. 10 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

3

Cheap Turns Superior: A Linear Regression-Based Correction ..:

Nandi, Surajit ; Busk, Jonas ; Jørgensen, Peter Bjørn..
Journal of Chemical Information and Modeling. 62 (2022) 19 - p. 4727-4735 , 2022

Link: https://doi.org/10.1021/..

4

Gas-Phase Formation and Isomerization Reactions of Cyanoace..:

Ballotta, Bernardo ; Nandi, Surajit ; Barone, Vincenzo.
ACS Earth and Space Chemistry. 5 (2021) 5 - p. 1071-1082 , 2021

Link: https://doi.org/10.1021/..

5

Alteration of Electronic Band Structure via a Metal–Semicon..:

Biswas, Ashmita ; Nandi, Surajit ; Kamboj, Navpreet...
ACS Nano. 15 (2021) 12 - p. 20364-20376 , 2021

Link: https://doi.org/10.1021/..

6

Syntheses and Room Temperature Phosphorescence Properties o..:

Tsuboi, Madoka ; Nakamura, Shotaro ; Nandi, Surajit...
Bulletin of the Chemical Society of Japan. 94 (2021) 10 - p. 2498-2504 , 2021

Link: https://doi.org/10.1246/..

7

Chemical promenades: Exploring potential‐energy surfaces wi..:

Martino, Marta ; Salvadori, Andrea ; Lazzari, Federico...
Journal of Computational Chemistry. 41 (2020) 13 - p. 1310-1323 , 2020

Link: https://doi.org/10.1002/..

8

A General User-Friendly Tool for Kinetic Calculations of Mu..:

Nandi, Surajit ; Ballotta, Bernardo ; Rampino, Sergio.
Applied Sciences. 10 (2020) 5 - p. 1872 , 2020

Link: https://doi.org/10.3390/..

9

Chemical bonding in cuprous complexes with simple nitriles:..:

Potenti, Simone ; Paoloni, Lorenzo ; Nandi, Surajit...
Physical Chemistry Chemical Physics. 22 (2020) 36 - p. 20238-20247 , 2020

Link: https://doi.org/10.1039/..

10

Theoretical insights into CO2 hydrogenation to methanol by ..:

Mandal, Shyama Charan ; Rawat, Kuber Singh ; Nandi, Surajit.
Catalysis Science & Technology. 9 (2019) 8 - p. 1867-1878 , 2019

Link: https://doi.org/10.1039/..

11

First principles investigation on the applicability of ruth..:

Nandi, Surajit ; Nair, Akhil S ; Pathak, Biswarup
Journal of Chemical Sciences. 132 (2019) 1 - p. , 2019

Link: https://doi.org/10.1007/..

12

A Modern-Fortran Program for Chemical Kinetics on Top of An..:

, In: Computational Science and Its Applications – ICCSA 2019; Lecture Notes in Computer Science,

Nandi, Surajit ; Calderini, Danilo ; Bloino, Julien.. - p. 401-412 , 2019

Link: https://doi.org/10.1007/..

13

Prebiotic Chemistry of HCN Tetramerization by Automated Rea..:

Nandi, Surajit ; Bhattacharyya, Debankur ; Anoop, Anakuthil
Chemistry – A European Journal. 24 (2018) 19 - p. 4885-4894 , 2018

Link: https://doi.org/10.1002/..

14

Bis‐Acetyl Carbazole: A Photoremovable Protecting Group for..:

Venkatesh, Yarra ; Nandi, Surajit ; Shee, Maniklal...
European Journal of Organic Chemistry. 2017 (2017) 41 - p. 6121-6130 , 2017

Link: https://doi.org/10.1002/..

15

ESIPT-induced fluorescent o-hydroxycinnamate: a self-monito..:

Paul, Amrita ; Mengji, Rakesh ; Chandy, Olive Abraham...
Org. Biomol. Chem.. 15 (2017) 40 - p. 8544-8552 , 2017

Link: https://doi.org/10.1039/..