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List of works by Tatiana Korona

A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials

scientific article published in February 2016

Carbon Nanotube Container: Complexes of C50H10 with Small Molecules

scientific article published on 04 October 2012

Chiral recognition by fullerenes: CHFClBr enantiomers in the C82 cage.

scientific article

Dimerization Behavior of Methyl Chlorophyllide a as the Model of Chlorophyll a in the Presence of Water Molecules-Theoretical Study

scientific article published on 25 April 2019

Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theory

scientific article published on 01 April 2008

Exchange-Dispersion Energy: A Formulation in Terms of Monomer Properties and Coupled Cluster Treatment of Intramonomer Correlation

scientific article published on 01 October 2009

Excited electronic states of thiophene: high resolution photoabsorption Fourier transform spectroscopy and ab initio calculations

scientific article published on 8 September 2014

First-order exchange energy of intermolecular interactions from coupled cluster density matrices and their cumulants

scientific article published on 01 June 2008

How Many Ligands Can Be Bound by Magnesium-Porphyrin? A Symmetry-Adapted Perturbation Theory Study

scientific article published on 20 July 2012

Influence of the second layer on geometry and spectral properties of doped two-dimensional hexagonal boron nitride

scientific article published on 27 July 2020

Interaction between LiH molecule and Li atom from state-of-the-art electronic structure calculations

article

Interaction of Boron-Nitrogen Doped Benzene Isomers with Water

scientific article published on 14 July 2016

Interaction of Non-polarizable Cations with Azaborine Isomers and Their Mono-Substituted Derivatives: Position, Induction, and Non-Classical Effects Matter

scientific article published on 16 October 2018

Interactions of benzene, naphthalene, and azulene with alkali-metal and alkaline-earth-metal atoms for ultracold studies

scientific article published on 01 June 2019

Intermolecular symmetry-adapted perturbation theory study of large organic complexes

scientific article published on 01 September 2014

Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3 complexes: A combined symmetry-adapted perturbation theory, Møller-Plesset, and quantum theory of atoms-in-molecules study

scientific article

Local CC2 electronic excitation energies for large molecules with density fitting

scientific article published in September 2006

Local CC2 response method for triplet states based on Laplace transform: excitation energies and first-order properties

scientific article published on December 2010

Local treatment of electron excitations in the EOM-CCSD method

On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C(60) fullerene with a rare gas atom

scientific article published on 03 November 2010

On the applicability of functional-group symmetry-adapted perturbation theory and other partitioning models for chiral recognition - the case of popular drug molecules interacting with chiral phases

scientific article published on 07 October 2019

On the role of higher-order correlation effects on the induction interactions between closed-shell molecules

scientific article published on 10 October 2007

One-electron properties and electrostatic interaction energies from the expectation value expression and wave function of singles and doubles coupled cluster theory

scientific article published in November 2006

Polyazomethine as a component of solar cells-theoretical and optical study

scientific article published in November 2015

Second-order exchange-induction energy of intermolecular interactions from coupled cluster density matrices and their cumulants

scientific article published on 26 September 2008

Small Molecules in C60 and C70: Which Complexes Could Be Stabilized?

scientific article

Structure and Energetics of Complexes of B12N12 with Hydrogen Halides-SAPT(DFT) and MP2 Study

scientific article published on 29 May 2015

Substituent effects in the so-called cationπ interaction of benzene and its boron-nitrogen doped analogues: overlooked role of σ-skeleton

scientific article published on 01 March 2019

Symmetry-Adapted Perturbation Theory Applied to Endohedral Fullerene Complexes: A Stability Study of H2@C60 and 2H2@C60.

scientific article published on 18 May 2009

The Molpro quantum chemistry package

scientific article published on 01 April 2020

The effect of local approximations in coupled-cluster wave functions on dipole moments and static dipole polarisabilities

Theoretical spectroscopy of the calcium dimer in the A 1Sigma(u)+, c3Pi(u), and a3Sigma(u)+ manifolds: an ab initio nonadiabatic treatment

scientific article published in September 2006

Theoretical studies of potential energy surface and bound states of the strongly bound He(1S)-BeO (1Σ+) complex

scientific article published on 11 July 2013

Transition strengths and first-order properties of excited states from local coupled cluster CC2 response theory with density fitting

scientific article published in August 2007

Two-particle density matrix cumulant of coupled cluster theory

scientific article published on 31 July 2008

XCC2—a new coupled cluster model for the second-order polarization propagator ⬇️

scientific article published on October 15, 2010

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