Items where Author is "Sural, Shamik"

Article

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

Mitra, Arka ; Jana, Gourhari ; Agrawal, Prachi ; Sural, Shamik ; Chattaraj, Pratim K. (2020) Integrating firefly algorithm with density functional theory for global optimization of Al42− clusters Theoretical Chemistry Accounts, 139 (2). 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

Jana, Gourhari ; Mitra, Arka ; Pan, Sudip ; Sural, Shamik ; Chattaraj, Pratim K. (2019) Modified Particle Swarm Optimization Algorithms for the Generation of Stable Structures of Carbon Clusters, Cn (n = 3–6, 10) Frontiers in Chemistry, 7 . ISSN 2296-2646

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

Mitikiri, Praveen ; Jana, Gourhari ; Sural, Shamik ; Chattaraj, Pratim K. (2018) A machine learning technique toward generating minimum energy structures of small boron clusters International Journal of Quantum Chemistry, 118 (17). e25672. ISSN 00207608