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official webpage at UW

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ResearcherID: E-8290-2011
Scopus Author ID: 6602540781

Keywords

quantum chemistry

Countries

Poland

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Employment (1)

University of Warsaw: Warsaw, PL

1997-10 to present | university professor (Faculty of Chemistry)
Employment
Source: Self-asserted source
Tatiana Korona

Funding (5)

Stany wzbudzone pod szkłem powiększającym - adaptacja metod opartych na analizie gęstości do badania molekularnych elektronowych stanów wzbudzonych

2022-07-11 to 2026-07-10 | Grant
National Science Center (Krakow, PL)
URL: https://app.dimensions.ai/details/grant/grant.13788754
GRANT_NUMBER: 2021/43/B/ST4/02969
Source: Self-asserted source
Tatiana Korona via DimensionsWizard

Właściwości i reaktywność cząsteczek i kompleksów cząsteczkowych w warunkach częściowych ograniczeń przestrzennych

2018-07-26 to 2021-07-25 | Grant
National Science Center (Krakow, PL)
URL: https://app.dimensions.ai/details/grant/grant.7872596
GRANT_NUMBER:

2017/27/B/ST4/02699
Source: Self-asserted source
Tatiana Korona via DimensionsWizard

Modelowanie oddziaływań w międzycząsteczkowych kompleksach chiralnych

2016-07-08 to 2018-07-07 | Grant
National Science Center (Krakow, PL)
URL: https://app.dimensions.ai/details/grant/grant.7404994
GRANT_NUMBER:

2015/19/B/ST4/01812
Source: Self-asserted source
Tatiana Korona via DimensionsWizard

Wieloreferencyjne uogólnienie przybliżonej metody sprzężonych klastrów w zastosowaniu do cząsteczek wieloatomowych

2011-01-01 to 2015-05-31 | Grant
National Science Center (Krakow, PL)
URL: https://app.dimensions.ai/details/grant/grant.7420004
GRANT_NUMBER:

2011/01/B/ST4/06141
Source: Self-asserted source
Tatiana Korona via DimensionsWizard

Nieperturbacyjna teoria efektów korelacji wewnętrznej w oddziaływaniach międzycząsteczkowych

2006-03-30 to 2009-03-29 | Grant
Ministry of Science and Higher Education (Warsaw, PL)
URL: https://app.dimensions.ai/details/grant/grant.4707704
GRANT_NUMBER:

1 T09A 002 30
Source: Self-asserted source
Tatiana Korona via DimensionsWizard

Works (50 of 76)

Items per page:
Page 1 of 2

Intermolecular interaction energies with AROFRAG–A systematic approach for fragmentation of aromatic molecules

Journal of Computational Chemistry
2024-11-05 | Journal article
DOI: 10.1002/jcc.27429
Contributors: Emran Masoumifeshani; Tatiana Korona
Source: check_circle
Crossref

AROFRAG─A Systematic Approach for Fragmentation of Aromatic Molecules

Journal of Chemical Theory and Computation
2024-02-13 | Journal article
DOI: 10.1021/acs.jctc.3c00875
Contributors: Emran Masoumifeshani; Tatiana Korona
Source: check_circle
Crossref

Growth temperature induced changes of luminescence in epitaxial BN: from colour centres to donor–acceptor recombination

Nanoscale
2023 | Journal article
DOI: 10.1039/D3NR00578J
Contributors: K. P. Korona; J. Binder; A. K. Dąbrowska; J. Iwański; A. Reszka; T. Korona; M. Tokarczyk; R. Stępniewski; A. Wysmołek
Source: check_circle
Crossref

How to make symmetry-adapted perturbation theory more accurate?

Polish Quantum Chemistry from Kołos to Now
2023 | Book chapter
DOI: 10.1016/bs.aiq.2023.04.002
Part of ISBN: 9780443185946
Part of ISSN: 0065-3276
Contributors: Tatiana Korona; Michał Hapka; Katarzyna Pernal; Konrad Patkowski
Source: Self-asserted source
Tatiana Korona

Dicarbon defect in hexagonal boron nitride monolayer—a theoretical study

Canadian Journal of Chemistry
2023-09-01 | Journal article
DOI: 10.1139/cjc-2022-0291
Contributors: Tatiana Korona; Joanna Jankowska; Emran Masoumifeshani
Source: check_circle
Crossref

Association Complexes of Calix[6]arenes with Amino Acids Explained by Energy-Partitioning Methods

Molecules
2022-11-16 | Journal article
DOI: 10.3390/molecules27227938
Contributors: Emran Masoumifeshani; Michał Chojecki; Dorota Rutkowska-Zbik; Tatiana Korona
Source: check_circle
Crossref
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Electronic correlation contribution to the intermolecular interaction energy from symmetrized systematic molecular fragmentation model

Computational and Theoretical Chemistry
2022-05 | Journal article
DOI: 10.1016/j.comptc.2022.113684
Part of ISSN: 2210-271X
Contributors: Emran Masoumifeshani; Michał Chojecki; Tatiana Korona
Source: Self-asserted source
Tatiana Korona

Symmetrized systematic molecular fragmentation model and its application for molecular properties

Computational and Theoretical Chemistry
2021-08 | Journal article
DOI: 10.1016/j.comptc.2021.113303
Part of ISSN: 2210-271X
Source: Self-asserted source
Tatiana Korona

Description of Chiral Complexes within Functional-Group Symmetry-Adapted Perturbation Theory—The Case of (S/R)-Carvone with Derivatives of (−)-Menthol

The Journal of Physical Chemistry A
2020-09-24 | Journal article
DOI: 10.1021/acs.jpca.0c06266
Contributors: Michał Chojecki; Dorota Rutkowska-Zbik; Tatiana Korona
Source: check_circle
Crossref

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

Journal of Molecular Modeling
2020-08 | Journal article
DOI: 10.1007/s00894-020-04456-8
Contributors: Michał Chojecki; Ewa Lewandowska; Tatiana Korona
Source: check_circle
Crossref

Direct Determination of Paracetamol in Environmental Samples Using Screen‐printed Carbon/Carbon Nanofibers Sensor – Experimental and Theoretical Studies

Electroanalysis
2020-07 | Journal article
DOI: 10.1002/elan.202000039
Part of ISSN: 1040-0397
Part of ISSN: 1521-4109
Source: Self-asserted source
Tatiana Korona

Ab initio electronic structure of the Sr2 + molecular ion

Journal of Physics B: Atomic, Molecular and Optical Physics
2020-07-14 | Journal article
DOI: 10.1088/1361-6455/ab84c53w
Contributors: Michał Śmiałkowski; Tatiana Korona; Michał Tomza
Source: check_circle
Crossref

The Molpro quantum chemistry package

The Journal of Chemical Physics
2020-04-14 | Journal article
DOI: 10.1063/5.0005081
Contributors: Hans-Joachim Werner; Peter J. Knowles; Frederick R. Manby; Joshua A. Black; Klaus Doll; Andreas Heßelmann; Daniel Kats; Andreas Köhn; Tatiana Korona; David A. Kreplin et al.
Source: check_circle
Crossref

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

Physical Chemistry Chemical Physics
2019 | Journal article
DOI: 10.1039/C9CP04056K
Contributors: Michał Chojecki; Dorota Rutkowska-Zbik; Tatiana Korona
Source: check_circle
Crossref

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

Physical Chemistry Chemical Physics
2019 | Journal article
DOI: 10.1039/C8CP04962A
Contributors: Sirous Yourdkhani; Michał Chojecki; Tatiana Korona
Source: check_circle
Crossref

Exploring point defects in hexagonal boron‐nitrogen monolayers

International Journal of Quantum Chemistry
2019-07-15 | Journal article
DOI: 10.1002/qua.25925
Contributors: Tatiana Korona; Michał Chojecki
Source: check_circle
Crossref

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

The Journal of Chemical Physics
2019-06-21 | Journal article
DOI: 10.1063/1.5094907
Contributors: Paweł Wójcik; Tatiana Korona; Michał Tomza
Source: check_circle
Crossref

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

Journal of Chemical Information and Modeling
2019-05-28 | Journal article
DOI: 10.1021/acs.jcim.8b00984
Contributors: Michał Chojecki; Dorota Rutkowska-Zbik; Tatiana Korona
Source: check_circle
Crossref

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

ChemPhysChem
2018-11-19 | Journal article
DOI: 10.1002/cphc.201800691
Contributors: Sirous Yourdkhani; Michał Chojecki; Tatiana Korona
Source: check_circle
Crossref

Stability of endo- and exohedral complexes of all-boron fullerene B 40

Computational and Theoretical Chemistry
2018-06 | Journal article
DOI: 10.1016/j.comptc.2018.04.007
Contributors: Michał Chojecki; Sirous Yourdkhani; Dorota Rutkowska-Zbik; Tatiana Korona
Source: check_circle
Crossref

Chiral recognition by fullerenes: CHFClBr enantiomers in the C<inf>82</inf> cage

Physical Chemistry Chemical Physics
2016 | Journal article
DOI: 10.1039/c6cp05030a
EID:

2-s2.0-84988566145
Contributors: Dodziuk, H.; Ruud, K.; Korona, T.; Demissie, T.B.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Interaction of Boron-Nitrogen Doped Benzene Isomers with Water

Journal of Physical Chemistry A
2016 | Journal article
DOI: 10.1021/acs.jpca.6b05248
EID:

2-s2.0-84982150798
Contributors: Yourdkhani, S.; Chojecki, M.; Hapka, M.; Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

The Journal of Chemical Physics
2016-02-28 | Journal article
DOI: 10.1063/1.4942234
Contributors: Gero Wälz; Denis Usvyat; Tatiana Korona; Martin Schütz
Source: check_circle
Crossref
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A study of the excited electronic states of normal and fully deuterated furan by photoabsorption spectroscopy and high-level ab initio calculations

Journal of Molecular Spectroscopy
2015 | Journal article
DOI: 10.1016/j.jms.2015.03.002
EID:

2-s2.0-84939260259
Contributors: Holland, D.M.P.; Seddon, E.A.; Trofimov, A.B.; Gromov, E.V.; Wormit, M.; Dreuw, A.; Korona, T.; De Oliveira, N.; Archer, L.E.; Joyeux, D.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Journal of Physics and Chemistry of Solids
2015 | Journal article
DOI: 10.1016/j.jpcs.2015.07.002
EID:

2-s2.0-84938413010
Contributors: Korona, K.P.; Korona, T.; Rutkowska-Zbik, D.; Grankowska-Ciechanowicz, S.; Iwan, A.; Kamińska, M.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Structure and Energetics of Complexes of B&lt;inf&gt;12&lt;/inf&gt;N&lt;inf&gt;12&lt;/inf&gt; with Hydrogen Halides - SAPT(DFT) and MP2 Study

Journal of Physical Chemistry A
2015 | Journal article
DOI: 10.1021/acs.jpca.5b01756
EID:

2-s2.0-84934957713
Contributors: Yourdkhani, S.; Korona, T.; Hadipour, N.L.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Journal of Computational Chemistry
2015-12-15 | Journal article
DOI: 10.1002/jcc.24226
Contributors: Sirous Yourdkhani; Tatiana Korona; Nasser L. Hadipour
Source: check_circle
Crossref
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A theoretical study on elementary building blocks for organic solar cells - Influence of a donor molecule on electronic spectrum of PCBM

Computational and Theoretical Chemistry
2014 | Journal article
DOI: 10.1016/j.comptc.2014.03.039
EID:

2-s2.0-84903900820
Contributors: Korona, T.; Rutkowska-Zbik, D.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Physical Chemistry Chemical Physics
2014 | Journal article
DOI: 10.1039/c4cp02420f
EID:

2-s2.0-84907848022
Contributors: Holland, D.M.P.; Trofimov, A.B.; Seddon, E.A.; Gromov, E.V.; Korona, T.; De Oliveira, N.; Archer, L.E.; Joyeux, D.; Nahon, L.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Intermolecular symmetry-adapted perturbation theory study of large organic complexes

Journal of Chemical Physics
2014 | Journal article
DOI: 10.1063/1.4893990
EID:

2-s2.0-84907056983
Contributors: Heßelmann, A.; Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

A coupled cluster treatment of intramonomer electron correlation within symmetry-adapted perturbation theory: Benchmark calculations and a comparison with a density-functional theory description

Molecular Physics
2013 | Journal article
DOI: 10.1080/00268976.2012.746478
EID:

2-s2.0-84890244854
Contributors: Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Journal of Physical Chemistry A
2013 | Journal article
DOI: 10.1021/jp404467b
EID:

2-s2.0-84881123802
Contributors: Hapka, M.; Kłos, J.; Korona, T.; Chałasiński, G.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Application of Hermitian time-dependent coupled-cluster response Ansätze of second order to excitation energies and frequency-dependent dipole polarizabilities

Physical Review A - Atomic, Molecular, and Optical Physics
2012 | Journal article
DOI: 10.1103/PhysRevA.86.052519
EID:

2-s2.0-84870540249
Contributors: Wälz, G.; Kats, D.; Usvyat, D.; Korona, T.; Schütz, M.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Carbon nanotube container: Complexes of C <inf>50</inf>H <inf>10</inf> with small molecules

Journal of Chemical Theory and Computation
2012 | Journal article
DOI: 10.1021/ct300546c
EID:

2-s2.0-84869068583
Contributors: Dodziuk, H.; Korona, T.; Lomba, E.; Bores, C.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

How many ligands can be bound by magnesium-porphyrin? A symmetry-adapted perturbation theory study

Journal of Chemical Theory and Computation
2012 | Journal article
DOI: 10.1021/ct300281p
EID:

2-s2.0-84865093559
Contributors: Rutkowska-Zbik, D.; Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Rovibrational interactions in linear triatomic molecules: A theoretical study in curvilinear vibrational coordinates

Structural Chemistry
2012 | Journal article
DOI: 10.1007/s11224-012-0059-2
EID:

2-s2.0-84867230807
Contributors: Shirkov, L.; Korona, T.; Moszynski, R.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

The effect of local approximations in the ground-state coupled cluster wave function on electron affinities of large molecules

Molecular Physics
2012 | Journal article
DOI: 10.1080/00268976.2011.638330
EID:

2-s2.0-84859737381
Contributors: Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Journal of Chemical Physics
2011 | Journal article
DOI: 10.1063/1.3563613
EID:

2-s2.0-79953179358
Contributors: Skomorowski, W.; Pawowski, F.; Korona, T.; Moszynski, R.; Uchowski, P.S.; Hutson, J.M.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Physical Chemistry Chemical Physics
2011 | Journal article
DOI: 10.1039/c0cp00968g
EID:

2-s2.0-78650365420
Contributors: Hesselmann, A.; Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Small molecules in C<inf>60</inf> and C<inf>70</inf>: Which complexes could be stabilized?

Journal of Chemical Theory and Computation
2011 | Journal article
DOI: 10.1021/ct200111a
EID:

2-s2.0-79955888021
Contributors: Korona, T.; Dodziuk, H.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

The effect of local approximations on first-order properties from expectation-value coupled cluster theory

Theoretical Chemistry Accounts
2011 | Journal article
DOI: 10.1007/s00214-010-0872-x
EID:

2-s2.0-79954628176
Contributors: Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Coupled cluster singles and doubles polarisation propagator accurate through the third order of Mller-Plesset theory

Molecular Physics
2010 | Journal article
DOI: 10.1080/00268970903476654
EID:

2-s2.0-77951117872
Contributors: Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Journal of Chemical Physics
2010 | Journal article
DOI: 10.1063/1.3506684
EID:

2-s2.0-78650873478
Contributors: Freundorfer, K.; Kats, D.; Korona, T.; Schütz, M.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

XCC2 - A new coupled cluster model for the second-order polarization propagator

Physical Chemistry Chemical Physics
2010 | Journal article
DOI: 10.1039/c0cp00474j
EID:

2-s2.0-78649734078
Contributors: Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Exchange-dispersion energy: A formulation in terms of monomer properties and coupled cluster treatment of intramonomer correlation

Journal of Chemical Theory and Computation
2009 | Journal article
DOI: 10.1021/ct900232j
EID:

2-s2.0-73949090432
Contributors: Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Symmetry-adapted perturbation theory applied to endohedral fullerene complexes: A stability study of H<inf>2</inf>@C<inf>60</inf> and 2H <inf>2</inf>@C<inf>60</inf>

Journal of Chemical Theory and Computation
2009 | Journal article
DOI: 10.1021/ct900108f
EID:

2-s2.0-67650102980
Contributors: Korona, T.; Hesselmann, A.; Dodziuk, H.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Journal of Chemical Physics
2008 | Journal article
DOI: 10.1063/1.2889006
EID:

2-s2.0-42149131422
Contributors: Korona, T.; Jeziorski, B.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Journal of Chemical Physics
2008 | Journal article
DOI: 10.1063/1.2933312
EID:

2-s2.0-45149106609
Contributors: Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

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

Physical Chemistry Chemical Physics
2008 | Journal article
DOI: 10.1039/b807329e
EID:

2-s2.0-55649096136
Contributors: Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier

Two-particle density matrix cumulant of coupled cluster theory

Physical Chemistry Chemical Physics
2008 | Journal article
DOI: 10.1039/b804513e
EID:

2-s2.0-52449109444
Contributors: Korona, T.
Source: Self-asserted source
Tatiana Korona via Scopus - Elsevier
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Peer review (3 reviews for 2 publications/grants)

Review activity for Computational and theoretical chemistry. (1)
Review activity for Journal of chemical physics. (2)
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