Dr Ramakrishnan Raghunathan
vidwan id: 621104
Associate Professor, TIFRH Interdisciplinary Sciences
Tata Institute of Fundamental Research Hyderabad
Expertise
- Multidisciplinary Chemistry
Publications
Publications
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Scopus
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14
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Citations
3776
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17
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Bio
Computational and Theoretical Chemistry
Personal Details
- Male
- Associate Professor , Tata Institute of Fundamental Research Hyderabad
- TIFRH Interdisciplinary Sciences, Tata Institute of Fundamental Research
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Co-Authors (4)
Tata Institute of Fundamental Research Hyderabad
Tata Institute of Fundamental Research Hyderabad
Tata Institute of Fundamental Research Hyderabad
Mahindra University, Hyderabad
Scholarly Work
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Scholarly Publications
Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulations
Open AccessQuantum-chemistry-aided identification, synthesis and experimental validation of model systems for conformationally controlled reaction studies: separation of the conformers of 2,3-dibromobuta-1,3-diene in the gas phase
Open AccessThe chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modeling
Open AccessExact separation of radial and angular correlation energies in two-electron atoms
Open AccessMachine learning modeling of Wigner intracule functionals for two electrons in one-dimension
Open AccessQuantum Interference in Real-Time Electron-Dynamics: Gaining Insights from Time-Dependent Configuration Interaction Simulations
Open AccessGeneralized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine Learning
Open Access
10.1021/acs.jctc.7b00933
52
48
Torsional Potentials of Glyoxal, Oxalyl Halides, and Their Thiocarbonyl Derivatives: Challenges for Popular Density Functional Approximations
Open Access
10.1021/acs.jctc.8b00174
11
11