T. Korona

发表

Ab initio potential energy surface, infrared spectrum, and second virial coefficient of the He–CO complex

P. Wormer, A. Avoird, R. Moszynski, 1995 .

Intermolecular symmetry-adapted perturbation theory study of large organic complexes.

A. Hesselmann, T. Korona, 2014, The Journal of chemical physics.

Local treatment of electron excitations in the EOM-CCSD method

H. Werner, T. Korona, 2003 .

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

R. Moszynski, T. Korona, P. Żuchowski, 2010, The Journal of chemical physics.

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

Tatiana Korona, Dorota Rutkowska-Zbik, T. Korona, 2012, Journal of chemical theory and computation.

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

Tatiana Korona, T. Korona, 2008, Physical chemistry chemical physics : PCCP.

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

T. Korona, 2010, Physical chemistry chemical physics : PCCP.

Helium dimer potential from symmetry-adapted perturbation theory

K. Szalewicz, B. Jeziorski, R. Bukowski, 1996 .

Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets

K. Szalewicz, B. Jeziorski, R. Bukowski, 1997 .

The effect of local approximations in coupled-cluster wave functions on dipole moments and static dipole polarisabilitiesDedicated to Prof. W. Meyer on the occasion of his 65th birthday.

H. Werner, T. Korona, Klaus Pflger, 2004 .

A theoretical study on elementary building blocks for organic solar cells – Influence of a donor molecule on electronic spectrum of PCBM

T. Korona, D. Rutkowska-Żbik, 2014 .

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

M. Kamińska, K. Korona, A. Iwan, 2015 .

Ab initio electronic structure of the Sr2 + molecular ion

M. Tomza, T. Korona, Michal 'Smialkowski, 2019, Journal of Physics B: Atomic, Molecular and Optical Physics.

Interaction of Boron-Nitrogen Doped Benzene Isomers with Water.

Sirous Yourdkhani, T. Korona, Michał Hapka, 2016, The journal of physical chemistry. A.

Exploring point defects in hexagonal boron‐nitrogen monolayers

T. Korona, M. Chojecki, 2019, International Journal of Quantum Chemistry.

Degenerate symmetry-adapted perturbation theory of weak interactions between closed- and open-shell monomers: application to Rydberg states of helium hydride

G. Diercksen, B. Jeziorski, R. Moszynski, 1999 .

Theoretical predictions of vibration–rotation–tunneling dynamics of the weakly bound trimer (H2O)2HCl

R. Moszynski, T. Korona, A. Milet, 2001 .

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

T. Korona, D. Rutkowska-Żbik, M. Chojecki, 2022, Molecules.

Second Virial Coefficients for Atom-Molecule Complexes from Ab Initio SAPT Potentials

T. Heijmen, P. Wormer, A. Avoird, 1998 .

Ab Initio Potential Energy Surface and Infrared Spectrum of the Ne−CO Complex

P. Wormer, A. Avoird, R. Moszynski, 1997 .

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

E. V. Gromov, D Joyeux, D. Joyeux, 2014, Physical chemistry chemical physics : PCCP.

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

Sirous Yourdkhani, T. Korona, M. Chojecki, 2018, Chemphyschem : a European journal of chemical physics and physical chemistry.

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.

T. Korona, D. Rutkowska-Żbik, M. Chojecki, 2019, Physical chemistry chemical physics : PCCP.

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

T. Korona, D. Rutkowska-Żbik, M. Chojecki, 2020, The journal of physical chemistry. A.

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

K. Tyszczuk‐Rotko, T. Korona, A. Nosal-Wiercińska, 2020 .

Time-independent coupled cluster theory of the polarization propagator. Implementation and application of the singles and doubles model to dynamic polarizabilities and van der Waals constants†

Tatiana Korona, B. Jeziorski, T. Korona, 2006 .

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

Tatiana Korona, B. Jeziorski, T. Korona, 2006, The Journal of chemical physics.

A study of the excited electronic states of normal and fully deuterated furan by photoabsorption spectroscopy and high-level ab initio calculations

Andreas Dreuw, Denis Joyeux, Tatiana Korona, 2015 .

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

Sirous Yourdkhani, T. Korona, M. Chojecki, 2019, Physical chemistry chemical physics : PCCP.

Ab initio potential-energy surface and rotationally inelastic integral cross sections of the Ar–CH4 complex

T. Heijmen, P. Wormer, A. Avoird, 1997 .

Carbon Nanotube Container: Complexes of C50H10 with Small Molecules.

E. Lomba, C. Bores, T. Korona, 2012, Journal of chemical theory and computation.

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

R. Moszynski, T. Korona, L. Shirkov, 2011, Structural Chemistry.

Theoretical spectroscopy of the calcium dimer in the AΣu+1, cΠu3, and aΣu+3 manifolds: An ab initio nonadiabatic treatment

R. Moszynski, B. Bussery-Honvault, T. Korona, 2006 .

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

Sirous Yourdkhani, Tatiana Korona, Sirous Yourdkhani, 2015, The journal of physical chemistry. A.

The Molpro quantum chemistry package.

Guntram Rauhut, Daniel Kats, Frederick R Manby, 2020, The Journal of chemical physics.

Coupled Cluster Treatment Of Intramonomer Correlation Effects In Intermolecular Interactions

T. Korona, 2010 .

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

M. Tomza, T. Korona, P. Wójcik, 2019, The Journal of chemical physics.

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

Daniel Kats, Tatiana Korona, Denis Usvyat, 2012 .

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

Tatiana Korona, T. Korona, 2013 .

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

Tatiana Korona, B. Jeziorski, T. Korona, 2008, The Journal of chemical physics.

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

Tatiana Korona, Martin Schütz, M. Schütz, 2007, The Journal of chemical physics.

Local CC2 electronic excitation energies for large molecules with density fitting.

Tatiana Korona, Martin Schütz, M. Schütz, 2006, The Journal of chemical physics.

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

Daniel Kats, Tatiana Korona, Martin Schütz, 2010, The Journal of chemical physics.

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

M. Schütz, T. Korona, D. Usvyat, 2016, The Journal of chemical physics.

Local Approximations for an Efficient and Accurate Treatment of Electron Correlation and Electron Excitations in Molecules

Daniel Kats, Hans-Joachim Werner, Tatiana Korona, 2011 .

Convergence behavior of the symmetry-adapted perturbation theory for states submerged in Pauli forbidden continuum

B. Jeziorski, T. Korona, K. Patkowski, 2001 .

Symmetrized systematic molecular fragmentation model and its application for molecular properties

T. Korona, Emran Masoumifeshani, 2021 .

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

Tatiana Korona, Dorota Rutkowska-Zbik, Michał Chojecki, 2019, J. Chem. Inf. Model..

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

Sirous Yourdkhani, T. Korona, D. Rutkowska-Żbik, 2018, Computational and Theoretical Chemistry.

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

Sirous Yourdkhani, Tatiana Korona, Nasser L. Hadipour, 2015, J. Comput. Chem..

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

T. Korona, 2011 .

Ab initio potential energy surface and second virial coefficient for He–H2O complex

Konrad Patkowski, Tatiana Korona, Robert Moszynski, 2002 .

Infrared spectroscopy and ab initio potential energy surface for Ne–C2H2 and Ne–C2HD complexes

T. Heijmen, P. Wormer, R. Bemish, 1998 .

Anisotropic intermolecular interactions in van der Waals and hydrogen-bonded complexes: What can we get from density functional calculations?

Tatiana Korona, Anne Milet, Robert Moszynski, 1999 .

Convergence of Symmetry-Adapted Perturbation Theory for the Interaction between Helium Atoms and between a Hydrogen Molecule and a Helium Atom

B. Jeziorski, R. Moszynski, T. Korona, 1997 .

Convergence of symmetry‐adapted perturbation theory expansions for pairwise nonadditive interatomic interactions

B. Jeziorski, R. Moszynski, T. Korona, 1996 .

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

Tatiana Korona, Kenneth Ruud, K. Ruud, 2016, Physical chemistry chemical physics : PCCP.

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

T. Korona, G. Chałasiński, Michał Hapka, 2013, The journal of physical chemistry. A.

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

Tatiana Korona, T. Korona, 2012 .

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.

A. Hesselmann, T. Korona, 2011, Physical chemistry chemical physics : PCCP.

Coupled cluster singles and doubles polarisation propagator accurate through the third order of Møller–Plesset theory

Tatiana Korona, T. Korona, 2010 .

Electrostatic interactions between molecules from relaxed one-electron density matrices of the coupled cluster singles and doubles model

Tatiana Korona, Robert Moszynski, B. Jeziorski, 2002 .

Symmetry-forcing procedure and convergence behavior of perturbation expansions for molecular interaction energies

Konrad Patkowski, Tatiana Korona, Krzysztof Szalewicz, 2002 .

Spectroscopic, collisional, and thermodynamic properties of the He–CO2 complex from an ab initio potential: Theoretical predictions and confrontation with the experimental data

F. Thibault, P. Wormer, R. Moszynski, 2001 .

Two-particle density matrix cumulant of coupled cluster theory.

Tatiana Korona, T. Korona, 2008, Physical chemistry chemical physics : PCCP.

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

Tatiana Korona, T. Korona, 2008, The Journal of chemical physics.

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

M. Tokarczyk, K. Korona, A. Wysmołek, 2023, Nanoscale.

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

T. Korona, E. Lewandowska, M. Chojecki, 2020, Journal of Molecular Modeling.

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

Tatiana Korona, T. Korona, H. Dodziuk, 2011, Journal of chemical theory and computation.

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

Tatiana Korona, T. Korona, 2009, Journal of chemical theory and computation.

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

Tatiana Korona, Andreas Hesselmann, A. Hesselmann, 2009, Journal of chemical theory and computation.

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

K. Ruud, T. Korona, H. Dodziuk, 2016, Physical chemistry chemical physics : PCCP.

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

T. Korona, 2007, Physical chemistry chemical physics : PCCP.

Carbon Nanotube Container: Complexes of C50H10 with Small Molecules.

E. Lomba, C. Bores, T. Korona, 2012, Journal of chemical theory and computation.

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

T. Korona, 2008, The Journal of chemical physics.

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

T. Korona, Emran Masoumifeshani, 2024, Journal of computational chemistry.