1 citations · 1 across the 3 of their papers we have counts for
4 papers
DFT GGA based datasets for HO potential energy surfaces, permanent moment and polarizability tensors
Anoop Ajaya Kumar Nair, Elvar Örn Jónsson
We present in this article data on the computed potential energy surface, permanent moment surface (from dipole to hexadecapole) and polarizability surface (from dipole-dipole to q…
Polarizable Embedding QM/MM for Periodic Systems
Julian Bessner, Anoop Ajaya Kumar Nair, Magnus Andreas Hilduberg Christiansen +3
A general polarizable embedded (PE) quantum mechanics/molecular mechanics scheme for periodic systems is presented, describing mutual polarization of the two subsystems. The QM sys…
C-Pol: Point charge perturbation scheme for mapping tensor moment surfaces
Anoop Ajaya Kumar Nair, Julian Beßner, Timo Jacob +1
We present an efficient moment-based perturbation scheme for evaluating polarizability tensors of small molecules at a fraction of the computational cost of conventional energy-bas…
Hyperspectral imaging with Raman scattered photons: A new paradigm in Raman analysis
K N Prajapati, Anoop A Nair, S Ravi P Silva +1
Surface enhanced Raman spectroscopy, is a technique of fundamental importance to analytical science and technology where the amplified Raman spectrum of analytes is used for chemic…