Items where Author is "Pal, Ranita"

Article

Pal, Ranita ; Ghara, Manas ; Chattaraj, Pratim Kumar (2022) Activation of Small Molecules and Hydrogenation of CO2 Catalyzed by Frustrated Lewis Pairs Catalysts, 12 (2). p. 201. ISSN 2073-4344

Pal, Ranita ; Chattaraj, Pratim Kumar (2022) Electrophilicity index revisited Journal of Computational Chemistry . ISSN 0192-8651

Pal, Ranita ; Poddar, Arpita ; Chattaraj, Pratim Kumar (2022) On the Periodicity of the Information Theory and Conceptual DFT-Based Reactivity Descriptors The Journal of Physical Chemistry A, 126 (39). pp. 6801-6813. ISSN 1089-5639

Pal, Ranita ; Chattaraj, Pratim Kumar (2021) Aromatic Clusters as Potential Hydrogen Storage Materials Frontiers in Energy Research, 9 . ISSN 2296-598X

Pal, Ranita ; Poddar, Arpita ; Chattaraj, Pratim Kumar (2021) Atomic Clusters: Structure, Reactivity, Bonding, and Dynamics Frontiers in Chemistry, 9 . ISSN 2296-2646

Pal, Ranita ; Chattaraj, Pratim Kumar (2021) Biological Activity, Physical Properties, and Toxicity International Journal of Quantitative Structure-Property Relationships, 6 (3). pp. 25-34. ISSN 2379-7487

Pal, Ranita ; Chattaraj, Pratim Kumar (2021) Chemical reactivity from a conceptual density functional theory perspective Journal of the Indian Chemical Society, 98 (1). p. 100008. ISSN 00194522

Mitra, Arka ; Jana, Gourhari ; Pal, Ranita ; Gaikwad, Pratiksha ; Sural, Shamik ; Chattaraj, Pratim Kumar (2021) Determination of stable structure of a cluster using convolutional neural network and particle swarm optimization Theoretical Chemistry Accounts, 140 (3). ISSN 1432-881X

Pal, Ranita ; Chattaraj, Pratim Kumar (2021) Possible effects of fluxionality of a cavitand on its catalytic activity through confinement Physical Chemistry Chemical Physics, 23 (30). pp. 15817-15834. ISSN 1463-9076

Jana, Gourhari ; Pal, Ranita ; Chattaraj, Pratim Kumar (2021) XNgNSi (X = HCC, F; Ng = Kr, Xe, Rn): A New Class of Metastable Insertion Compounds Containing Ng–C/F and Ng–N Bonds and Possible Isomerization therein The Journal of Physical Chemistry A, 125 (49). pp. 10514-10523. ISSN 1089-5639

Pal, Ranita ; Jana, Gourhari ; Chattaraj, Pratim Kumar (2020) Ligand stabilized transient “MNC” and its influence on MNC → MCN isomerization process: a computational study (M = Cu, Ag, and Au) Theoretical Chemistry Accounts, 139 (1). ISSN 1432-881X

Jana, Gourhari ; Pal, Ranita ; Sural, Shamik ; Chattaraj, Pratim Kumar (2020) Quantitative structure‐toxicity relationship: An “in silico study” using electrophilicity and hydrophobicity as descriptors International Journal of Quantum Chemistry, 120 (6). ISSN 0020-7608

Pal, Ranita ; Pal, Goutam ; Jana, Gourhari ; Chattaraj, Pratim Kumar (2019) An In Silico QSAR Model Study Using Electrophilicity as a Possible Descriptor Against T. Brucei International Journal of Chemoinformatics and Chemical Engineering, 8 (2). pp. 57-68. ISSN 2155-4110

Pal, Ranita ; Jana, Gourhari ; Sural, Shamik ; Chattaraj, Pratim Kumar (2018) Hydrophobicity versus electrophilicity: A new protocol toward quantitative structure-toxicity relationship Chemical Biology & Drug Design, 93 (6). pp. 1083-1095. ISSN 17470277