Zobrazeno 1 - 10
of 18
pro vyhledávání: '"N. C. Bera"'
Autor:
Jagannath Panda, Biswal Binod Kumar, Niraj Kumari, Rojalin Sahu, P. Ramesh Babu, Bita Mohanty, Pramit Kumar Sahu, N. C. Bera
Publikováno v:
2018 International Conference on Applied Electromagnetics, Signal Processing and Communication (AESPC).
In this report, we have prepared a Ni(II) mixed ligand based complex probe for sensing of DNA. The complex is mechanochemically synthesized by using 2,4, 6-tri-(2-pyridyl)-1,3,5- trizine (tptz) and Picolinic acid as primary and secondary ligands resp
Publikováno v:
Structural Chemistry. 22:893-900
Structural properties, spectroscopic constants and the interaction between rare-gas atom and open and closed-shell iodine atom of weakly bound van der Waals molecules have been studied in details using CCSD(T) method. The Lennard-Jones potential is u
Autor:
N. C. Bera, Jayanta K. Bhattacharjee
Publikováno v:
The European Physical Journal D. 53:21-26
An exact calculation of the Casimir force for a non-interacting Bose gas confined between two parallel plates is presented. The gas can be free or trapped, parallel to the plates. Depending on the finite size parameter λ/L (λ is the de Broglie wave
Publikováno v:
Molecular Physics. 107:157-164
Dissociation and thermochemistry of CH3SiN and SiH3SiN have been studied in detail using high level quantum chemical methods. The enthalpy of formation of these molecules at 0 K and 298.15 K are predicted by G3 and G3//B3LYP methods using an atomizat
Publikováno v:
Chemical Physics Letters. 461:348-352
Spectroscopy and dissociation of HCl 2+ , HBr 2+ and HI 2+ have been studied in detail using ab initio MP2, CCSD and CCSD(T) and the density functional B3LYP methods. In the dissociation processes, the fragmented atoms have been considered to be eith
Autor:
N. C. Bera, Amit Das
Publikováno v:
Chemical Physics Letters. 460:319-324
Spectroscopic constants and the interaction between rare-gas and open and closed shell halogen have been studied in detail using CCSD(T) method. The spectroscopic constants have been calculated using our recently developed method for the weakly bound
Autor:
Amit Das, N. C. Bera
Publikováno v:
Chemical Physics Letters. 437:257-261
Spectroscopic properties of Zn 2 , ZnHe, ZnNe and ZnAr van der Waals molecules have been studied using CCSD(T) method. The spectroscopic constants are estimated from our newly developed method for calculating the spectroscopic constants of weakly bou
Publikováno v:
The European Physical Journal D. 42:221-226
Geometrical parameters, harmonic frequencies and molecular properties of FCN, ClCN, their cations and the isomers of FCN and ClCN are studied in detail using ab initio MP2, CCSD and CCSD(T) methods. The dissociation energy of FCN and ClCN in various
Publikováno v:
International Journal of Quantum Chemistry. 107:1067-1072
Publikováno v:
International Journal of Quantum Chemistry. 108:447-455
Stability, structural properties, and dissociation pathways of silylidyne-amines FSiN, ClSiN, their isomers, and silylidyne-phosphanes FSiP and ClSiP have been studied in detail using ab initio MP2, CCSD, and CCSD(T) and density functional B3LYP meth