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Nilangshu Mandal
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Exploring Ultrashort Hydrogen–Hydrogen Nonbonded Contacts in Constrained Molecular Cavities
N Mandal, SM Pratik, A Datta
The Journal of Physical Chemistry B 121 (4), 825-834, 2017
272017
Harnessing the Efficacy of 2-Pyridone Ligands for Pd-Catalyzed (β/γ)-C(sp3)–H Activations
N Mandal, A Datta
The Journal of Organic Chemistry 85 (20), 13228-13238, 2020
262020
Gold (I)-catalyzed intramolecular diels–alder reaction: evolution of trappable intermediates via asynchronous transition states
N Mandal, A Datta
The Journal of Organic Chemistry 83 (18), 11167-11177, 2018
222018
Structure and electronic properties of unnatural base pairs: The role of dispersion interactions
S Jahiruddin, N Mandal, A Datta
ChemPhysChem 19 (1), 67-74, 2018
202018
Transition-State-like Planar Structures for Amine Inversion with Ultralong C–C Bonds in Diamino-o-carborane and Diamino-o-dodecahedron
N Mandal, AK Pal, P Gain, A Zohaib, A Datta
Journal of the American Chemical Society 142 (11), 5331-5337, 2020
192020
Dynamical Effects along the Bifurcation Pathway Control Semibullvalene Formation in Deazetization Reactions
N Mandal, A Datta
The Journal of Physical Chemistry B 122 (3), 1239-1244, 2018
172018
Hierarchical noncovalent interactions between molecules stabilize multicomponent cocrystals
S Mandal, TK Mukhopadhyay, N Mandal, A Datta
Crystal Growth & Design 19 (8), 4802-4809, 2019
142019
Enhancement in electrical conductivity of a porous indium based metal–organic framework upon I 2 uptake: combined experimental and theoretical investigations
P Mani, N Mandal, M Roopesh, H Gopalakrishnan, A Datta, S Mandal
Journal of Materials Chemistry C 8 (14), 4836-4842, 2020
132020
On bonding in bis (dimethylglyoximato) nickel (II)
SG Patra, N Mandal, A Datta, D Datta
Computational and Theoretical Chemistry 1114, 118-124, 2017
132017
Molecular designs for expanding the limits of ultralong C–C bonds and ultrashort H⋯ H non-bonded contacts
N Mandal, A Datta
Chemical Communications 56 (98), 15377-15386, 2020
112020
Aromaticity of N‐heterocyclic carbene and its analogues: Magnetically induced ring current perspective
SG Patra, N Mandal
International Journal of Quantum Chemistry 120 (9), e26152, 2020
92020
Harnessing noncovalent interactions for a directed evolution of a six-component molecular crystal
S Mandal, AK Pal, N Mandal, TK Mukhopadhyay, A Datta
The Journal of Physical Chemistry B 125 (45), 12584-12591, 2021
72021
Stereoelectronic and dynamical effects dictate nitrogen inversion during valence isomerism in benzene imine
N Mandal, A Das, C Hajra, A Datta
Chemical Science 13 (3), 704-712, 2022
42022
Designing Principles for Ultrashort H∙∙∙H Non-Bonded Contacts and Ultralong C–C Bonds
N Mandal, A Datta
Electron Density: Concepts, Computation and DFT Applications, 576, 2024
2024
Mechanistic Understandings of Gold-Catalyzed C-H Functionalization
A Nijamudheen, N Mandal, A Datta
Handbook of CH-Functionalization, 1-20, 2022
2022
Dynamical Effects in Molecular Structure for Applications in Homogeneous Catalysis
N Mandal
Indian Association for the Cultivation of Science, 2022
2022
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Articles 1–16