מאמרים עם הרשאות לגישה ציבורית - Ranita Palלמידע נוסף
לא זמינים באתר כלשהו: 18
Electrophilicity index revisited
R Pal, PK Chattaraj
Journal of Computational Chemistry 44 (3), 278-297, 2023
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Chemical reactivity from a conceptual density functional theory perspective
R Pal, PK Chattaraj
Journal of the Indian Chemical Society 98 (1), 100008, 2021
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Frustrated Lewis pairs: bonding, reactivity, and applications
M Ghara, H Mondal, R Pal, PK Chattaraj
The Journal of Physical Chemistry A 127 (21), 4561-4582, 2023
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Quantitative Structure - Toxicity Relationship: An “In Silico Study” using Electrophilicity and Hydrophobicity as Descriptors
G Jana, R Pal, S Sural, PK Chattaraj
Int. J. Quantum Chem., 2019
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Global optimization: A soft computing perspective
R Pal, P Das, PK Chattaraj
The Journal of Physical Chemistry Letters 14 (14), 3468-3482, 2023
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Possible effects of fluxionality of a cavitand on its catalytic activity through confinement
R Pal, PK Chattaraj
Physical Chemistry Chemical Physics 23 (30), 15817-15834, 2021
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Ligand stabilized transient “MNC” and its influence on MNC→ MCN isomerization process: a computational study (M= Cu, Ag, and Au)
R Pal, G Jana, PK Chattaraj
Theoretical Chemistry Accounts 139, 1-16, 2020
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
A conceptual DFT and information-theoretic approach towards QSPR modeling in polychlorobiphenyls
A Poddar, R Pal, C Rong, PK Chattaraj
Journal of Mathematical Chemistry 61 (5), 1143-1164, 2023
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
On the periodicity of the information theory and conceptual DFT-based reactivity descriptors
R Pal, A Poddar, PK Chattaraj
The Journal of Physical Chemistry A 126 (39), 6801-6813, 2022
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Structure, stability, reactivity and bonding in noble gas compounds
R Pal, PK Chattaraj
Physical Chemistry Chemical Physics 26 (13), 9856-9866, 2024
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
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
G Jana, R Pal, PK Chattaraj
The Journal of Physical Chemistry A 125 (49), 10514-10523, 2021
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Development of quantitative structure–activity relationship models based on electrophilicity index: a conceptual DFT-based descriptor
R Pal, PK Chattaraj
Big data analytics in chemoinformatics and bioinformatics, 219-229, 2023
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Biological Activity, Physical Properties, and Toxicity: A Number Counting and Reactivity-Based Analysis
R Pal, PK Chattaraj
International Journal of Quantitative Structure-Property Relationships …, 2021
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Quantitative Structure-Activity Analysis Using Conceptual DFT and Information Theory-based Descriptors
A Poddar, R Pal, SG Patra, PK Chattaraj
Mathematical Descriptors of Molecules and Biomolecules: Applications in …, 2024
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Bonobo Optimizer: A New Tool Toward the Global Optimization of Small Atomic Clusters
B Chakraborty, R Pal, DK Pratihar, PK Chattaraj
The Journal of Physical Chemistry A 128 (19), 3864-3873, 2024
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
A modified cusp condition for the single density equations of DFT and orbital-free DFT for atoms
PK Chattaraj, R Pal
Journal of Mathematical Chemistry 61 (8), 1717-1725, 2023
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Structure and stability of a new set of noble gas insertion compounds, XNgOPO(OH)2 (X = F, Cl, Br; Ng = Kr, Xe, Rn): an in silico investigation
R Pal, G Jana, PK Chattaraj
Theoretical Chemistry Accounts 142 (4), 34, 2023
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Generation of global minimum energy structures of small molecular clusters using machine learning technique
G Jana, R Pal
Atomic Clusters with Unusual Structure, Bonding and Reactivity, 185-212, 2023
הרשאות: Council of Scientific and Industrial Research, India
זמינים באתר כלשהו: 15
Activation of Small Molecules and Hydrogenation of CO2 Catalyzed by Frustrated Lewis Pairs
R Pal, M Ghara, PK Chattaraj
Catalysts 12 (2), 201, 2022
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
Determination of stable structure of a cluster using convolutional neural network and particle swarm optimization
A Mitra, G Jana, R Pal, P Gaikwad, S Sural, PK Chattaraj
Theoretical Chemistry Accounts 140, 1-12, 2021
הרשאות: Council of Scientific and Industrial Research, India, Department of Science …
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