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Arobendo Mondal
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The role of weak interactions in the phase transition and distinct mechanical behavior of two structurally similar caffeine co-crystal polymorphs studied by nanoindentation
S Ghosh, A Mondal, M Kiran, U Ramamurty, CM Reddy
Crystal growth & design 13 (10), 4435-4441, 2013
1092013
Thermal Lattice Expansion Effect on Reactive Scattering of H2 from Cu(111) at Ts = 925 K
A Mondal, M Wijzenbroek, M Bonfanti, C Diaz, GJ Kroes
The Journal of Physical Chemistry A 117 (36), 8770-8781, 2013
582013
Unique emission from norbornene derived terpyridine—a selective chemodosimeter for G-type nerve agent surrogates
S Sarkar, A Mondal, AK Tiwari, R Shunmugam
Chemical communications 48 (35), 4223-4225, 2012
522012
Probing interactions of N-donor molecules with open metal sites within paramagnetic Cr-MIL-101: A solid-state NMR spectroscopic and density functional theory study
T Wittmann, A Mondal, CBL Tschense, JJ Wittmann, O Klimm, R Siegel, ...
Journal of the American Chemical Society 140 (6), 2135-2144, 2018
442018
Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K
A Mondal, MW Gaultois, AJ Pell, M Iannuzzi, CP Grey, J Hutter, M Kaupp
Journal of chemical theory and computation 14 (1), 377-394, 2017
382017
Water dissociation on Cu (111): Effects of molecular orientation, rotation, and vibration on reactivity
A Mondal, H Seenivasan, AK Tiwari
The Journal of Chemical Physics 137 (9), 2012
342012
Quantum-Chemical Approach to NMR Chemical Shifts in Paramagnetic Solids Applied to LiFePO4 and LiCoPO4
A Mondal, M Kaupp
The Journal of Physical Chemistry Letters 9 (7), 1480-1484, 2018
282018
Computation of NMR shifts for paramagnetic solids including zero-field-splitting and beyond-DFT approaches. Application to LiMPO4 (M= Mn, Fe, Co, Ni) and MPO4 (M= Fe, Co)
A Mondal, M Kaupp
The Journal of Physical Chemistry C 123 (13), 8387-8405, 2019
232019
Supramolecular polyelectrolyte complex (SPEC): pH dependent phase transition and exploitation of its carrier properties
S Biswas, E Mani, A Mondal, A Tiwari, S Roy
Soft Matter 12 (7), 1989-1997, 2016
132016
Quantum-chemical study of 7Li NMR shifts in the context of delithiation of paramagnetic lithium vanadium phosphate, Li3V2 (PO4) 3 (LVP)
A Mondal, M Kaupp
Solid State Nuclear Magnetic Resonance 101, 89-100, 2019
72019
Behavior of water dimer under the influence of external electric fields
A Mondal, H Seenivasan, S Saurav, AK Tiwari
NISCAIR-CSIR, India, 2013
52013
Computation of NMR Shifts for Paramagnetic Solids: Developments and Applications
A Mondal
Technische Universität Berlin, 2019
2019
Computation of NMR shifts for paramagnetic solids
A Mondal
2019
Quantum Dynamics of H₂ and H₂O Dissociation on Cu (111) Surface
A Mondal
Indian Institute of Science Education and Research Kolkata, 2013
2013
Structure, Disorder and Function in Metal-Organic Frameworks–an NMR Crystallographic Approach
CBL Tschense, T Wittmann, A Mondal, G Maurin, M Kaupp, J Senker
Correlating Hammett Constant with Molecular Electrostatic Potential: A Case Study with Mono-Substituted Naphthalene Molecule
A Mondal
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