| Issue Date | Title | Guide | Type | Author(s) |
| 2017 | An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO3 radical | - | Article | Shamasundar, K.R. |
| 2019 | Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies† | - | Article | Bawari, D.; Negi, C.; Porwal, Vishal Kumar; Ravi, S.; Shamasundar, K.R.; Singh, Sanjay |
| 2020 | Beyond Born-Oppenheimer constructed diabatic potential energy surfaces for F + H2reaction | - | Article | Shamasundar, K.R. |
| 2017 | Beyond Born-Oppenheimer treatment for the construction of triple-sheeted accurate diabatic Hamiltonian matrix of F+H2 system | - | Article | Shamasundar, K.R. |
| 2018 | A beyond Born-Oppenheimer treatment of five state molecular system NO3 and the photodetachment spectra of its anion | - | Article | Shamasundar, K.R. |
| 2014 | Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure | - | Article | Shamasundar, K.R. |
| 2014 | A comparative study of Dissociative Ionization of N2 and CO | - | Article | Pandey, A.; Bapat, B.; Shamasundar, K.R. |
| 2016 | Cover Picture: Two Different Pathways in the Reduction of [(S=)PCl(μ‐NtBu)]2 with Na (Chem. Eur. J. 34/2016) | - | Article | Bawari, D.; Prashanth, B.; Ravi, S.; Shamasundar, K.R.; Singh, Sanjay |
| 2018 | Diagonal Born–Oppenheimer correction for coupled-cluster wave-functions | - | Article | Shamasundar, K.R. |
| 2018 | Electronically Unsaturated Three‐Coordinate Aluminum Hydride and Organoaluminum Cations | - | Article | Prashanth, B.; Bhandari, M.; Ravi, S.; Shamasundar, K.R.; Singh, Sanjay |
| 2015 | Reactivity of a dihydroboron species: synthesis of a hydroborenium complex and an expedient entry into stable thioxo- and selenoxo-boranes | - | Article | Jaiswal, K.; Prashanth, B.; Ravi, S.; Shamasundar, K.R.; Singh, Sanjay |
| 2019 | Topological studies related to molecular systems formed during the Big Bang: H3+ as an example | - | Article | Mukherjee, B.; Shamasundar, K.R.; Adhikari, S.; Baer, M. |
| 2016 | Two Different Pathways in the Reduction of [(S=)PCl(μ‐NtBu)]2 with Na | - | Article | Bawari, D.; Prashanth, B.; Ravi, S.; Shamasundar, K.R.; Singh, Sanjay |
| 2016 | Two Different Pathways in the Reduction of [(S=)PCl(μ‐NtBu)]2 with Na | - | Article | Bawari, D.; Prashanth, B.; Ravi, S.; Shamasundar, K.R.; Singh, Sanjay |
