logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
R

Raghunathan Ramakrishnan

tata institute of fundamental research

16H指数
97论文数
4.7K被引数
收录论文 27
发表时间
logo
A Chemical Space Perspective on Diastereomeric Barriers in Alkylperoxy-to-Hydroperoxyalkyl Isomerization从化学空间角度探讨烷氧基过氧到氢过氧烷基异构化的立体异构体势垒
errJournal of Physical Chemistry A
IF2.8
err2026-09-17
err0
PREAI
errRaghunathan Ramakrishnan
err分享
err收藏
Insights Into Symmetry and Substitution Patterns Governing Singlet–Triplet Energy Gap in the Chemical Space of Azaphenalenes
errChemistry – A European Journal
IF3.7
err2026-02-05
err0
errOAAI
errAtreyee Majumdar; Raghunathan Ramakrishnan
err分享
err收藏
Machine-learned potentials for solvation modeling机器学习方法用于溶剂化建模
errJournal of Physics-Condensed Matter
IF2.6
err2026-01-09
err1
PREAI
errBanchode, Roopshree; Das, Surajit; Raghunathan, Shampa; Ramakrishnan, Raghunathan
err分享
err收藏
Leveraging the Bias-Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet-Triplet Gap Predictions: A Case for Double-Hybrid DFT利用量子化学中的偏差-方差权衡实现精确的负单重态-三重态能隙预测：双杂化DFT的一个案例
errJournal of Computational Chemistry
IF4.8
err2025-09-18
err0
errOAAI
errAtreyee Majumdar; Raghunathan Ramakrishnan
err分享
err收藏
Correction: Influence of pseudo-Jahn–Teller activity on the singlet–triplet gap of azaphenalenes更正：伪-Jahn–Teller效应活动对氮杂菲烯单线态-三线态能隙的影响
errPhys. Chem. Chem. Phys.
IF2.9
err2025-08-11
err0
errOAAI
errAtreyee Majumdar; Komal Jindal; Surajit Das; Raghunathan Ramakrishnan
err分享
err收藏
Unlocking inverted singlet–triplet gap in alternant hydrocarbons with heteroatoms通过杂原子解锁交替烃中的反演自旋三线态-单线态能隙
errChem. Sci.
IF7.4
err2025-08-06
err0
errOAAI
errAtreyee Majumdar; Surajit Das; Raghunathan Ramakrishnan
err分享
err收藏
Chemical space-informed machine learning models for rapid predictions of x-ray photoelectron spectra of organic molecules用于快速预测有机分子x射线光电子能谱的化学空间机器学习模型
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-10-25
err0
errOAAI
errTripathy, Susmita; Das, Surajit; Jindal, Shweta; Ramakrishnan, Raghunathan
err分享
err收藏
Structure prediction from spectra amidst dynamical heterogeneity in melanin
errCHEMICAL COMMUNICATIONS
IF4.2
err2024-01-01
err6
PREAI
errChoudhury, Arpan; Ramakrishnan, Raghunathan; Ghosh, Debashree
err分享
err收藏
Bandgaps of long-period polytypes of IV, IV-IV, and III-V semiconductors estimated with an Ising-type additivity model
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-09-26
err1
PREAI
errRamakrishnan, Raghunathan; Jain, Shruti
err分享
err收藏
Reduction of 2-H-substituted pyrrolinium cations: the carbon-carbon single bond in air stable 2,2′-bipyrrolidines as a two-electron-source
errCHEMICAL COMMUNICATIONS
IF4.2
err2023-01-01
err2
PREAI
errNayak, Mithilesh Kumar; Elvers, Benedict J.; Mandal, Debdeep; Das, Ayan; Ramakrishnan, Raghunathan; Mote, Kaustubh R.; Schulzke, Carola; Yildiz, Cem Burak; Jana, Anukul
err分享
err收藏
The resolution-vs.-accuracy dilemma in machine learning modeling of electronic excitation spectra
errDIGITAL DISCOVERY
IF5.6
err2022-01-01
err9
errOAAI
errKayastha, Prakriti; Chakraborty, Sabyasachi; Ramakrishnan, Raghunathan
err分享
err收藏
Data-driven modeling of S0 → S1 excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse design
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-12-27
err11
errOAAI
errGupta, Amit; Chakraborty, Sabyasachi; Ghosh, Debashree; Ramakrishnan, Raghunathan
err分享
err收藏
Machine learning modeling of materials with a group-subgroup structure具有组-子群结构的材料的机器学习建模
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-07-14
err2
errOAAI
errKayastha, Prakriti; Ramakrishnan, Raghunathan
err分享
err收藏
Revving up 13C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-05-12
err20
errOAAI
errGupta, Amit; Chakraborty, Sabyasachi; Ramakrishnan, Raghunathan
err分享
err收藏
High-throughput design of Peierls and charge density wave phases in Q1D organometallic materials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-09
err6
errOAAI
errKayastha, Prakriti; Ramakrishnan, Raghunathan
err分享
err收藏
Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-29
err14
errOAAI
errDas, Sambit Kumar; Chakraborty, Sabyasachi; Ramakrishnan, Raghunathan
err分享
err收藏
Troubleshooting unstable molecules in chemical space
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err10
errOAAI
errSenthil, Salini; Chakraborty, Sabyasachi; Ramakrishnan, Raghunathan
err分享
err收藏
Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulations (vol 152, 194111, 2020)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-22
err0
errOAAI
errRamakrishnan, Raghunathan
err分享
err收藏
Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-20
err6
errOAAI
errRamakrishnan, Raghunathan
err分享
err收藏
Machine learning modeling of Wigner intracule functionals for two electrons in one-dimension
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-04-09
err3
errOAAI
errBhavsar, Rutvij; Ramakrishnan, Raghunathan
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
M
Marcus Elstner
H 指数: 75 · 论文数: 426
T
Tucker Carrington
H 指数: 63 · 论文数: 353
S
Surajit Das
H 指数: 60 · 论文数: 314
O
O. Anatole von Lilienfeld
H 指数: 57 · 论文数: 264
G
Guntram Rauhut
H 指数: 41 · 论文数: 211
查看更多