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1

Origins of Structure and Energetics of van der Waals Clusters from ab Initio Calculations

Chalasinski, Grzegorz, Szczesniak, Malgorzata M.

Journal:

Chemical Reviews

Year:

1994

Language:

english

File:

PDF, 6.37 MB

english, 1994

2

State of the Art and Challenges of the ab Initio Theory of Intermolecular Interactions

Chałasiński, Grzegorz, Szczȩśniak, Małgorzata M.

Journal:

Chemical Reviews

Year:

2000

Language:

english

File:

PDF, 389 KB

english, 2000

3

Weak interactions between small systems. Models for studying the nature of intermolecular forces and challenging problems for ab initio calculations

Chalasinski, Grzegorz, Gutowski, Maciej

Journal:

Chemical Reviews

Year:

1988

Language:

english

File:

PDF, 3.63 MB

english, 1988

4

Perturbation calculations of the interaction energy between closed-shell Hartree-Fock atoms

Chałasiński, Grzegorz

Journal:

Molecular Physics

Year:

1983

Language:

english

File:

PDF, 1.13 MB

english, 1983

5

Dimer centred basis set in the calculations of the first-order interaction energy with CI wavefunction

Chałasiński, Grzegorz, Gutowski, Maciej

Journal:

Molecular Physics

Year:

1985

Language:

english

File:

PDF, 770 KB

english, 1985

6

Paradigm Pre-Reactive Van Der Waals Complexes: X—HX and X—H2 (X: F, Cl, Br)

Jacek Klos, M. M. Szczesniak, G. Chalasinski

Journal:

Year:

2005

File:

PDF, 8 KB

2005

7

Gaussian orbitals in calculations of the second-order corrections to the interaction energy of two hydrogen atoms

G. Chałasiński, W. Kołos, B. Petelenz, L. Piela

Journal:

Chemical Physics Letters

Year:

1971

Language:

english

File:

PDF, 299 KB

english, 1971

8

Exchange dispersion effect in the interaction between HF molecules

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 419 KB

english, 1982

9

An analysis of the partial wave expansion of the dispersion energy for Ne2

G. Chałasiński, J.H. van Lenthe, Th.P. Groen

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 479 KB

english, 1984

10

Perturbation calculations of the non-additivity of the exchange-dispersion energy for the Be3 system

M. Bulski, G. Chałasiński

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 641 KB

english, 1986

11

Does the boys and bernardi function counterpoise method actually overcorrect the basis set superposition error?

M. Gutowski, F.B. Van Duijneveldt, G. Chałasiński, L. Piela

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 368 KB

english, 1986

12

The basis set superposition error in correlated electronic structure calculations

M. Gutowski, J.H. Van Lenthe, J. Verbeek, F.B. Van Duijneveldt, G. Chałasinski

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 516 KB

english, 1986

13

Perturbation analysis of the supermolecule interaction energy and the basis set superposition error

Sławomir M. Cybulski, Grzegorz Chałasiński

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 766 KB

english, 1992

14

Basis set superposition error in proton transfer potentials

Zdzislaw Latajka, Steve Scheiner, Grzegorz Chalasinski

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 326 KB

english, 1992

15

Comment on “A possible definition of basis set superposition error”

Maciej Gutowski, Małgorzata M. Szczȩśniak, Grzegorz Chałasínski

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 569 KB

english, 1995

16

Exchange-perturbation calculations of the interaction energy between Be atoms including intra-atomic correlation effects

Grzegorz Chałasiński

Journal:

Chemical Physics

Year:

1983

Language:

english

File:

PDF, 582 KB

english, 1983

17

The impact of higher polarization functions of second-order dispersion energy. Partial wave expansion and damping phenomenon for He2

Maciej Gutowski, Jacob Verbeek, Joop H. van Lenthe, Grzegorz Chałasiński

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.17 MB

english, 1987

18

Conformational analysis of N-benzyl-N-o-tolyl-p-methylbenzene-sulfonamides from dynamic 1H NMR experiments and theoretical calculations

Dorota Maciejewska, Jacek Jakowski, Jerzy Kleps, Grzegorz Chałasiński

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 202 KB

english, 2004

19

Theoretical prediction of the ArO− anion ZEKE photoelectron spectrum

A.A. Buchachenko, M.M. Szczȩśniak, G. Chałasiński

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 520 KB

english, 2001

20

ArC2H2: a challenging system for ab initio calculations

Roger D. Hasse, Mark W. Severson, M.M. Szczȩśniak, Grzegorz Chałasiński, Piotr Cieplak, Rick A. Kendall, Sławomir M. Cybulski

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 1.20 MB

english, 1997

21

Many-body exchange effects in clusters of rare gases with a chromophore: He2CO2

Jacek Jakowski, Grzegorz Chałasiński, M.M. Szczȩśniak, Sławomir M. Cybulski

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 513 KB

english, 1998

22

Ab initio calculations and modeling of three-dimensional adiabatic and diabatic potential energy surfaces of F(2P)···H2(1Σ+) Van der Waals complex

Jacek Kłos, Grzegorz Chałasiński, M. M. Szczȩśniak

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 250 KB

english, 2002

23

Ab initio calculations and modeling of three-body forces in Ar2H2O

Rudolf Burcl, M. M. Szczȩśniak, Jacek Kłos, Grzegorz Chałasiński, Sławomir M. Cybulski

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 290 KB

english, 2002

24

Obituary: Jacek Rychlewski (1947–2003)

Grzegorz Chalasinski, Bogumil Jeziorski, Jacek Komasa, Jerzy Konarski

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 49 KB

english, 2004

25

Exact calculation of exchange polarization energy for H ion

G. Chałasiński, B. Jeziorski

Journal:

International Journal of Quantum Chemistry

Year:

1973

Language:

english

File:

PDF, 502 KB

english, 1973

26

Multipole structure of exchange polarization energy for H2+ Ion

G. Chałasiński, B. Jeziorski

Journal:

International Journal of Quantum Chemistry

Year:

1973

Language:

english

File:

PDF, 605 KB

english, 1973

27

On the convergence properties of the Rayleigh–Schrödinger and the Hirschfelder–Silbey perturbation expansions for molecular interaction energies

Grzegorz Chałasiński, Bogumił Jeziorski, Krzysztof Szalewicz

Journal:

International Journal of Quantum Chemistry

Year:

1977

Language:

english

File:

PDF, 616 KB

english, 1977

28

Symmetry forcing and convergence properties of perturbation expansions for molecular interaction energies

Bogumił Jeziorski, Krzysztof Szalewicz, Grzegorz Chałasiński

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 907 KB

english, 1978

29

Effective basis sets for calculations of exchange-repulsion energy

Maciej Gutowski, Grzegorz Chałasiǹski, Jeanne Van Duijneveldt-Van De Rijdt

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 560 KB

english, 1984

30

On basis set effects in SCF calculations of the interaction energy between closed-shell atoms

Marek Bulski, Grzegorz Chałasiński

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1977

Language:

english

File:

PDF, 308 KB

english, 1977

31

Many-orbital cluster expansion for the exchange-repulsion nonadditivity in the interaction of rare gas atoms. The neon trimer

Marek Bulski, Grzegorz Chałasiński

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1980

Language:

english

File:

PDF, 635 KB

english, 1980

32

Exchange polarization effects in the interaction of closed-shell systems

Grzegorz Chałasiński, Bogumił Jeziorski

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1977

Language:

english

File:

PDF, 790 KB

english, 1977

33

Diffuse basis functions for small-core relativistic pseudopotential basis sets and static dipole polarizabilities of selected lanthanides La, Sm, Eu, Tm and Yb

Alexei A. Buchachenko, Grzegorz Chałasiński, Małgorzata M. Szczȩśniak

Journal:

Structural Chemistry

Year:

2007

Language:

english

File:

PDF, 218 KB

english, 2007

34

Van der Waals minima in excited states by Møller-Plesset perturbation theory: The a 3Σu+ State of He2 And the 3π state of MgHe

Grzegorz Chałasiński, Jack Simons

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 563 KB

english, 1988

35

Anisotropy of correlation effects in hydrogen-bonded systems: the HF dimer

Małgorzata M. Szczȩśniak, Grzegorz Chałasiński

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 566 KB

english, 1989

36

Correlation correction to the Hartree-Fock electrostatic energy including orbital relaxation

R. Moszyński, S. Rybak, S. Cybulski, G. Chałasiński

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 454 KB

english, 1990

37

Helium atom as a probe of molecular shape and properties: HeH2O complex

B. Kukawska-Tarnawska, G. Chałasiński, M.M. Szczȩśniak

Journal:

Journal of Molecular Structure

Year:

1993

Language:

english

File:

PDF, 1.02 MB

english, 1993

38

Derivation of the supermolecular interaction energy from the monomer densities in the density functional theory

Łukasz Rajchel, Piotr S. Żuchowski, Małgorzata M. Szczęśniak, Grzegorz Chałasiński

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 232 KB

english, 2010

39

Interactions of transition metal atoms with He

J. Kłos, M. F. Rode, J. E. Rode, G. Chałasiński, M. M. Szcześniak

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2004

Language:

english

File:

PDF, 278 KB

english, 2004

40

Interactions of lanthanide atoms: Comparative ab initio study of YbHe, Yb2and TmHe, TmYb potentials

A. A. Buchachenko, G. Chałasiński, M. M. Szczęśniak

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2007

Language:

english

File:

PDF, 183 KB

english, 2007

41

Ab initio calculations of nonadditive effects

M.M. Szczȩśniak, G. Chałasiński

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 1.26 MB

english, 1992

42

On the nature of the interaction energy in the Ar-Cl2 complex

Joanna Sadlej, Grzegorz Chałasiński, Małgorzata M. Szczȩśniak

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 1.19 MB

english, 1994

43

Site-site function and successive reaction counterpoise calculation of basis set superposition error for proton transfer

Agnieszka J. Abkowicz, Zdzislaw Latajka, Steve Scheiner, Grzegorz Chalasiñski

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 610 KB

english, 1995

44

Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and symmetry adapted perturbation theory calculations

Elvira R. Sayfutyarova, Alexei A. Buchachenko, Michal Hapka, Małgorzata M. Szczęśniak, Grzegorz Chałasiński

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 606 KB

english, 2012

45

Theoretical Studies of Potential Energy Surface and Bound States of the Strongly Bound He( 1 S)–BeO ( 1 Σ + ) Complex

Hapka, Michał, Kłos, Jacek, Korona, Tatiana, Chałasiński, Grzegorz

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.51 MB

english, 2013

46

Density-Dependent Onset of the Long-Range Exchange: A Key to Donor–Acceptor Properties

Modrzejewski, Marcin, Rajchel, Łukasz, Chalasinski, Grzegorz, Szczesniak, Małgorzata M.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.61 MB

english, 2013

47

A density functional theory approach to noncovalent interactions via interacting monomer densities

Rajchel, Łukasz, Żuchowski, Piotr S., Hapka, Michał, Modrzejewski, Marcin, Szczęśniak, Małgorzata M., Chałasiński, Grzegorz

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.44 MB

english, 2010

48

Interactions in Open-Shell Clusters: Ab Initio Study of Pre-reactive Complex O( 3 P) + HCl †

Rode, Joanna E., Klos, Jacek, Rajchel, Lukasz, Szczesniak, Malgorzata M., Chalasinski, Grzegorz, Buchachenko, Alexei A.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 538 KB

english, 2005

49

Ab Initio Calculations and Modeling of Three-Dimensional Adiabatic and Diabatic Potential Energy Surfaces of Br( 2 P)···H 2 ( 1 Σ + ) Pre-Reactive Complex

Kłos, Jacek, Chałasiński, Grzegorz, Szczȩśniak, M. M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 152 KB

english, 2002

50

Range-Separated meta-GGA Functional Designed for Noncovalent Interactions

Modrzejewski, Marcin, Chałasiński, Grzegorz, Szczęśniak, Małgorzata M.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 2.28 MB

english, 2014

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