Surajit Nandi - Publications, H-index & Citations

Surajit Nandi

indian institute of technology kharagpur

14H指数

29论文数

609被引数

收录论文 11

发表时间

Computational Investigation of Cytochrome P450-Catalyzed Oxetane Formation in Taxol Biosynthesis 计算研究紫杉醇生物合成中细胞色素P450催化的氧杂环丁烷形成

Biochemistry

IF3

2025-07-14

PREAI

Surajit Nandi; Rohan Sharma; Subhajit Mandal; Pankaz K. Sharma; Parayil Kumaran Ajikumar; Anakuthil Anoop

Reducing training data needs with minimal multilevel machine learning (M3L)通过最少的多级机器学习 (M3L) 减少训练数据需求

MACHINE LEARNING-SCIENCE AND TECHNOLOGY

IF4.6

2024-06-06

OAAI

Heinen, Stefan; Khan, Danish; Falk von Rudorff, Guido; Karandashev, Konstantin; Arrieta, Daniel Jose Arismendi; Price, Alastair J. A.; Nandi, Surajit; Bhowmik, Arghya; Hermansson, Kersti; von Lilienfeld, O. Anatole

MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methods

SCIENTIFIC DATA

IF6.9

2023-11-08

OAAI

Nandi, Surajit; Vegge, Tejs; Bhowmik, Arghya

Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-09-16

PREAI

Nandi, Surajit; Busk, Jonas; Jorgensen, Peter Bjorn; Vegge, Tejs; Bhowmik, Arghya

Alteration of Electronic Band Structure via a Metal-Semiconductor Interfacial Effect Enables High Faradaic Efficiency for Electrochemical Nitrogen Fixation 通过金属-半导体界面效应改变电子能带结构可实现电化学固氮的高法拉第效率

ACS NANO

IF16

2021-12-13

PREAI

Biswas, Ashmita; Nandi, Surajit; Kamboj, Navpreet; Pan, Jaysree; Bhowmik, Arghya; Dey, Ramendra Sundar

Syntheses and Room Temperature Phosphorescence Properties of Dibenzobenzodithiophenes and Dibenzothiophenes 二苯并苯并二噻吩和二苯并噻吩的合成及室温磷光性质

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

IF3.8

2021-08-28

OAAI

Tsuboi, Madoka; Nakamura, Shotaro; Nandi, Surajit; de Silva, Piotr; Takeda, Youhei; Miura, Masahiro

Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2020-02-14

OAAI

Martino, Marta; Salvadori, Andrea; Lazzari, Federico; Paoloni, Lorenzo; Nandi, Surajit; Mancini, Giordano; Barone, Vincenzo; Rampino, Sergio

Theoretical insights into CO2 hydrogenation to methanol by a Mn-PNP complex

CATALYSIS SCIENCE & TECHNOLOGY

IF4.2

2019-01-01

PREAI

Mandal, Shyama Charan; Rawat, Kuber Singh; Nandi, Surajit; Pathak, Biswarup

Prebiotic Chemistry of HCN Tetramerization by Automated Reaction Search 通过自动反应搜索进行HCN四聚反应的益生元化学

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2018-03-06

PREAI

Nandi, Surajit; Bhattacharyya, Debankur; Anoop, Anakuthil

Molecular Engineering of Triphenylamine Based Aggregation Enhanced Emissive Fluorophore: Structure-Dependent Mechanochromism and Self-Reversible Fluorescence Switching

CRYSTAL GROWTH & DESIGN

IF3.4

2016-11-30

PREAI

Hariharan, Palamarneri Sivaraman; Prasad, Viki Kumar; Nandi, Surajit; Anoop, Anakuthil; Moon, Dohyun; Anthony, Savarimuthu Philip

A p-Hydroxyphenacyl-Benzothiazole-Chlorambucil Conjugate as a Real-Time-Monitoring Drug-Delivery System Assisted by Excited-State Intramolecular Proton Transfer 对羟基苯甲酰甲基-苯并噻唑-苯丁酸氮芥缀合物作为激发态分子内质子转移辅助的实时监测药物递送系统

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2016-02-25

PREAI

Barman, Shrabani; Mukhopadhyay, Sourav K.; Biswas, Sandipan; Nandi, Surajit; Gangopadhyay, Moumita; Dey, Satyahari; Anoop, Anakuthil; Singh, N. D. Pradeep

研究方向