Tapas Kar

2000- Utah State University, Logan, UT, United States 
Computational chemistry
"Tapas Kar"

(born 1959)

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Abani Bhusan Sannigrahi grad student 1988 IIT Kharagpur
 (A Comparative Study of Mulliken and Lowdin Schemes of Population Analysis in the Ab Initio Calculations of Local Quantities Related to Charge Distribution in Some H- and Li-Bonded Complexes)
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Muniyandi S, Sundaram R, Roy AK, et al. (2022) N/O→B dative bonds supplemented by N-HN/HC hydrogen bonds make BN-cages an attractive candidate for DNA-nucleobase adsorption - an MP2 prediction. Physical Chemistry Chemical Physics : Pccp. 24: 16862-16875
Gajda M, Gajda Ł, Kupka T, et al. (2019) Local aromaticity in polyacenes manifested by individual proton and carbon shieldings: DFT mapping of aromaticity. Magnetic Resonance in Chemistry : Mrc
Kupka T, Buczek A, Broda MA, et al. (2019) Performance of polarization-consistent vs. correlation-consistent basis sets for CCSD(T) prediction of water dimer interaction energy. Journal of Molecular Modeling. 25: 313
Seif A, Rashidi A, Scheiner S, et al. (2019) Theoretical insight into a feasible strategy of capturing, storing and releasing toxic HCN at the surface of doped BN-sheets by charge modulation Applied Surface Science. 496: 143714
Muniyandi S, Sundaram R, Kar T. (2018) Aluminum doping makes boron nitride nanotubes (BNNTs) an attractive adsorbent of hydrazine (N 2 H 4 ) Structural Chemistry. 29: 375-382
Ortolan AO, Caramori GF, Matthias Bickelhaupt F, et al. (2017) How the electron-deficient cavity of heterocalixarenes recognizes anions: insights from computation. Physical Chemistry Chemical Physics : Pccp
Kar T, Grüninger P, Scheiner S, et al. (2017) Can HCCH/HBNH Break B═N/C═C Bonds of Single-Wall BN/Carbon Nanotubes at Their Surface? The Journal of Physical Chemistry C. 121: 26044-26053
Kar T, Adhikari U, Scheiner S, et al. (2017) Solvation Enhances the Distinction between Carboxylated Armchair and Zigzag Single-Wall Carbon Nanotubes (SWNT-COOH) The Journal of Physical Chemistry C. 121: 9516-9527
Parreira RL, Nassar EJ, da Silva EH, et al. (2017) Electronic properties and metal-ligand bonding situation in Eu(III) complexes containing tris(pyrazolyl)borate and phenantroline ligands Journal of Luminescence. 182: 137-145
Torres AM, Scheiner S, Roy AK, et al. (2016) Segmentation and additive approach: A reliable technique to study noncovalent interactions of large molecules at the surface of single-wall carbon nanotubes. Journal of Computational Chemistry
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