Nityananda Sahu
Nityananda Sahu
MPI fuer Kohlenforschung, Germany
Verified email at mpi-muelheim.mpg.de
Title
Cited by
Cited by
Year
Quantum chemical investigations on molecular clusters
SR Gadre, SD Yeole, N Sahu
Chemical reviews 114 (24), 12132-12173, 2014
1112014
Molecular Tailoring Approach: A Route for ab Initio Treatment of Large Clusters
N Sahu, SR Gadre
Accounts of chemical research 47 (9), 2739-2747, 2014
682014
Appraisal of molecular tailoring approach for large clusters
N Sahu, SD Yeole, SR Gadre
The Journal of Chemical Physics 138 (10), 104101, 2013
462013
Vibrational infrared and Raman spectra of polypeptides: Fragments-in-fragments within molecular tailoring approach
N Sahu, SR Gadre
The Journal of Chemical Physics 144 (11), 114113, 2016
222016
Toward an accurate and inexpensive estimation of CCSD (T)/CBS binding energies of large water clusters
N Sahu, G Singh, A Nandi, SR Gadre
The Journal of Physical Chemistry A 120 (28), 5706-5714, 2016
172016
Structures, energetics and vibrational spectra of CO 2 clusters through molecular tailoring and cluster building algorithm
SD Yeole, N Sahu, SR Gadre
Physical Chemistry Chemical Physics 14 (21), 7718-7723, 2012
172012
Low energy isomers of (H2O)25 from a hierarchical method based on Monte Carlo temperature basin paving and molecular tailoring approaches …
N Sahu, SR Gadre, A Rakshit, P Bandyopadhyay, E Miliordos, ...
The Journal of chemical physics 141 (16), 164304, 2014
142014
Accurate vibrational spectra via molecular tailoring approach: A case study of water clusters at MP2 level
N Sahu, SR Gadre
The Journal of chemical physics 142 (1), 014107, 2015
132015
Structures, energetics and vibrational spectra of (H2O) 32 clusters: a journey from model potentials to correlated theory
N Sahu, SS Khire, SR Gadre
Molecular Physics 113 (19-20), 2970-2979, 2015
112015
High-Level ab Initio Investigations on Structures and Energetics of N2O Clusters
SD Yeole, N Sahu, SR Gadre
The Journal of Physical Chemistry A 117 (36), 8591-8598, 2013
102013
Exploring structures and energetics of large OCS clusters by correlated methods
N Sahu, G Singh, SR Gadre
The Journal of Physical Chemistry A 117 (42), 10964-10972, 2013
92013
Harnessing desktop computers for ab initio calculation of vibrational IR/Raman spectra of large molecules
SS Khire, N Sahu, SR Gadre
Journal of Chemical Sciences 130 (11), 159, 2018
12018
The system can't perform the operation now. Try again later.
Articles 1–12