Cover Image. - Sai Manoj N. V. T. Gorantla; Pattiyil Parameswaran; Kartik Chandra Mondal (J. Comput. Chem., 2021)

Stabilization of group 14 elements E = C, Si, Ge by hetero-bileptic ligands cAAC, MCOn with push-pull mechanism. - Sai Manoj N. V. T. Gorantla; Pattiyil Parameswaran; Kartik Chandra Mondal (J. Comput. Chem., 2021)

EDA-NOCV analysis of carbene-borylene bonded dinitrogen complexes for deeper bonding insight: A fair comparison with a metal-dinitrogen system. - Kavita Devi; Sai Manoj N. V. T. Gorantla; Kartik Chandra Mondal (J. Comput. Chem., 2022)

Uncovering the hidden reactivity of benzyne/aryne precursors utilized under milder condition: Bonding and stability studies by EDA-NOCV analyses. - Sai Manoj N. V. T. Gorantla; Kartik Chandra Mondal (J. Comput. Chem., 2022)

Cover Image. - Sai Manoj N. V. T. Gorantla; Harsha S. Karnamkkott; Selvakumar Arumugam; Sangita Mondal; Kartik Chandra Mondal (J. Comput. Chem., 2023)

Stability and bonding of carbon(0)-iron-N2 complexes relevant to nitrogenase co-factor: EDA-NOCV analyses. - Sai Manoj N. V. T. Gorantla; Harsha S. Karnamkkott; Selvakumar Arumugam; Sangita Mondal; Kartik Chandra Mondal (J. Comput. Chem., 2023)