Search filters

List of works by Anita Das

A tri-atomic Renner-Teller system entangled with Jahn-Teller conical intersections.

scientific article

Dressed adiabatic and diabatic potentials for the Renner-Teller/Jahn-Teller F + H2 system.

scientific article published on 16 January 2013

Dressed adiabatic and diabatic potentials to study conical intersections for F + H2

scientific article published on 01 February 2012

Dressed adiabatic and diabatic potentials to study topological effects for F + H2

scientific article published on 21 February 2014

Evaluation of the quasi correlated tight-binding (QCTB) model for describing polyradical character in polycyclic hydrocarbons.

scientific article published in February 2017

Investigation of plausible mechanistic pathways in hydrogenation of η⁵-(C₅H₅)₂Ta(H)=CH₂: an analysis using DFT and AIM techniques.

scientific article published on 19 February 2014

Jahn-Teller intersections induced by introduction of bending in linear polyatomics: study with HCNH, a selected molecular system

scientific article published on 08 February 2012

Local Electron Correlation Treatment in Extended Multireference Calculations: Effect of Acceptor-Donor Substituents on the Biradical Character of the Polycyclic Aromatic Hydrocarbon Heptazethrene.

scientific article published on 25 April 2017

Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study.

scientific article published on 9 February 2016

Renner-Teller intersections along the collinear axes of polyatomic molecules: H2CN as a case study

scientific article published on 01 August 2010

Study of Nonadiabatic Effects in Low-Lying Electronic States of HCNH with Implication in Its Dissociation to HCN and HNC ⬇️

scientific article published on June 14, 2013

Paulina is supported by:

About Paulina

Help