Tapas Kar
Affiliations: | 2000- | Utah State University, Logan, UT, United States |
Area:
Computational chemistryWebsite:
http://www.chem.usu.edu/faculty_staff/people/adjunct_professor/tapas_karGoogle:
"Tapas Kar"Bio:
(born 1959)
http://ion.chem.usu.edu/~tapaskar/CV-Tapas.pdf
http://ion.chem.usu.edu/~tapaskar/
http://dgr.rints.com/PDF_2009/D0006835.pdf
Mean distance: (not calculated yet)
Parents
Sign in to add mentor| 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) | ||||
Collaborators
Sign in to add collaborator| Sudhanshu Kumar Mishra | collaborator | Utah State University (Econometree) |
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Publications
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| Buczek A, Rzepiela K, Kupka T, et al. (2024) Uracil-water interaction revisited - in search of single H-bonded secondary minima. Physical Chemistry Chemical Physics : Pccp. 26: 5169-5182 |
| 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 |