SA
Suvitha Ambigapathy
Research areas: Chemistry · Physical and Theoretical Chemistry · Crystallography and molecular interactions · Advanced Chemical Physics Studies · Supramolecular Chemistry and Complexes
0000-0002-6952-9784
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Publications (30)
- Intramolecular Versus Intermolecular Bonding in Drug Gemcitabine and Nucleobases: A Computational Study Save
- Intermolecular interactions in microhydrated ribonucleoside and deoxyribonucleoside: A computational study Save
- A computational study on the complexation of bisbenzimidazolyl derivatives with cucurbituril and cyclohexylcucurbituril Save
- Unraveling the binding nature of hexane with quinone functionalized pillar[5]quinone: a computational study Save
- Deciphering the nature of interactions in nandrolone/testosterone encapsulated cucurbituril complexes: a computational study Save
- A theoretical exploration of the intermolecular interactions between resveratrol and water: a DFT and AIM analysis Save
- Structure, stability, and nature of bonding between high energy water clusters confined inside cucurbituril: A computational study Save
- Unravelling the nature of binding of cubane and substituted cubanes within cucurbiturils: A DFT and NCI study Save
- Nature of bonding and cooperativity in linear DMSO clusters: A DFT, AIM and NCI analysis Save
- Piperine Encapsulation within Cucurbit[n]uril (n=6,7): A Combined Experimental and Density Functional Study Save
- Density functional theory study on the dihydrogen bond cooperativity in the growth behavior of dimethyl sulfoxide clusters Save
- Intermolecular interaction in nucleobases and dimethyl sulfoxide/water molecules: A DFT, NBO, AIM and NCI analysis Save
- Structure, electronic, inclusion complex formation behavior and spectral properties of pillarplex Save
- Trapping of organophosphorus chemical nerve agents by pillar[5]arene: A DFT, AIM, NCI and EDA analysis Save
- Loading of a Phenanthroline-Based Platinumii) Complex onto the Surface of a Carbon Nanotube via π-π Stacking Save
- NHC-Catalyzed Benzylic C<inf>sp³</inf>–H Bond Activation of Alkylarenes and N-Benzylamines for the Synthesis of 3H-Quinazolin-4-ones: Experimental and Theoretical Study Save
- Structure, stability and reactivity of neutral and charged monomeric chromium oxide clusters Save
- Computational study on the interactions of mustard gas with cucurbituril macrocycles Save
- DFT calculations on polarizabilities and hyperpolarizabilities for the neutral and anionic yttrium oxide clusters Save
- A theoretical study of the effects of transition metal dopants on the adsorption and dissociation of hydrogen on nickel clusters Save