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Title: Density Functional Method-Priniciples and Applications

Creator:

Andzeim, J.

Date issued/created:

1998

Resource type:

Text

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Contributor:

Polskie Towarzystwo Chemiczne. ; Polska Akademia Nauk. Komitet Nauk Chemicznych.

Publisher:

PWN

Place of publishing:

Warszawa

Description:

23 cm

Type of object:

Journal/Article

Detailed Resource Type:

Czasopismo

Format:

artykuł

Source:

click here to follow the link ; IChF PAN, call no. P.54 Org. ; IChF PAN, call no. P.64 ; cc96203657

Language:

eng

Rights:

Prawa zastrzeżone - dostęp ograniczony

Terms of use:

Zasób chroniony prawem autorskim. Korzystanie dozwolone wyłącznie na terminalach Instytutu Chemii Fizycznej PAN w zakresie określonym przez przepisy o dozwolonym użytku.

Digitizing institution:

Instytut Chemii Fizycznej Polskiej Akademii Nauk

Original in:

Biblioteka Instytutu Chemii Fizycznej PAN

Projects co-financed by:

Programme Innovative Economy, 2010-2014, Priority Axis 2. R&D infrastructure ; European Union. European Regional Development Fund

Access:

Open

Subject and keywords:

Chemia -- -- -- -- [KABA] Czasopisma naukowe -- Polska -- 1970-2000. -- [KABA] Czasopisma naukowe -- Polska -- 1990-. -- [KABA]

Object collections:

• Digital Repository of Scientific Institutes > Partners' collections > Institute of Physical Chemistry PAS > Journals
• Digital Repository of Scientific Institutes > Literature > Journals/Articles

Last modified:

Oct 2, 2020

All available object's versions:

https://rcin.org.pl./publication/47486

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• Polish Journal of Chemistry (1978-2009)
  • Vol. 74 no. 1 (2000)
  • Vol. 74 no. 2 (2000)
  • Vol. 74 no. 3 (2000)
  • Vol. 74 no. 4 (2000)
  • Vol. 74 no. 5 (2000)
  • Vol. 74 no. 6 (2000)
  • Vol. 74 no. 7 (2000)
  • Vol. 74 no. 8 (2000)
  • Vol. 74 no. 9 (2000)
  • Vol. 74 no. 10 (2000)
  • Vol. 74 no. 11 (2000)
  • Vol. 74 no. 12 (2000)
  • Vol. 73 no. 1 (1999)
  • Vol. 73 no. 2 (1999)
  • Vol. 73 no. 3 (1999)
  • Vol. 73 no. 4 (1999)
  • Vol. 73 no. 5 (1999)
  • Vol. 73 no. 6 (1999)
  • Vol. 73 no. 7 (1999)
  • Vol. 73 no. 8 (1999)
  • Vol. 73 no. 9 (1999)
  • Vol. 73 no. 10 (1999)
  • Vol. 73 no. 11 (1999)
  • Vol. 73 no. 12 (1999)
  • Vol. 72 no. 1 (1998)
  • Vol. 72 no. 2 (1998)
  • Vol. 72 no. 3 (1998)
  • Vol. 72 no. 4 (1998)
  • Vol. 72 no. 5 (1998)
  • Vol. 72 no. 6 (1998)
  • Vol. 72 no. 7 (1998)
  • Vol. 72 no. 7 Supplement (1998)
    • Jeziorski, Bogumił, Włodzimierz Kołos (1928-1996) s.1283-1287
    • Roothaan, C.C.J., Rembering Włodek Kołos s.1288-1289
    • Ransil, B.J., Włodzimierz KoLos at the Laboratory of Molecular Structure and Spectra, 1957-1968 : A Brief Memoir s.1290-1292
    • Hinze, J; Alijah A. ; Wolniewicz, Understanding the Adiabatic Approximation; the Accurate Data of H2 Transferred to H3+ s.1293-1303
    • Andre, J.-M., Total Energies and Equilibrium Bond Lengths of Molecules: Myths or Realities, the Example of the Hydrogen Molecule s. 1304-1312
    • Fraga, S.; Fraga E.S., The Schrödinger-Riccati Equation. An Application to the Hydrogen and Helium Atoms s.1313-1322
    • Jonsell, S.; Saenz A.; Froelich P., Non-Adiabatic Couplings between the Final States of Tritium Beta Decay s.1323-1333
    • Peek, J.M., General Formula for Shape-Resonance Life Times: The HeH+ Example s.1334-1342
    • Quadrupole Splitting of the Weakly Bound System [(dtμ)11dee] s.1343-1352
    • Komasa, J.; Rychlewski, J., The Ground State of (He-H-He)+from Correlated Ab Initio Calculations s.1353-1360
    • Kleinekathöfer, U.; Patil S.H.; Tang, K.T., A Boundary Condition Determined Wave Function for the H2 (X1Ʃg) Molecule s.1361-1375
    • Sabin, J.R.; Oddershede J., Polarization Propagator Calculations of Molecular Generalized Oscillator Strengths s.1376-1388
    • Špirko,V; Jurek; Kraemer, W.P., Adiabatic Separations of the Vibrational Motions in HeH2+ and the Calculation of Metastable States s. 1389-1397
    • Molski, M; Konarski, J., Breakdown of the Born-Oppenheimer Approximation in InCl X1Ʃ Electronic State s.1398-1404
    • Helgaker, T.; Jaszuński, M.; Ruud, K. Full CI Calculations of Magnetic Properties of the H2 Molecule in the B1Ʃ+u State s.1405-1410
    • Grabowski, I.; Jankowski, K.; Kowalski, K., Applicability of the Almost-Linear Coupled-Cluster Method to Nondynamically Correlated States s. 1411-1420
    • Adams, W.H., Radius of Convergence of the Amos-Musher Intermolecular Perturbation Theory for the Hydrogen Molecule Ground State s. 1421-1431
    • Novaro, O., Nonadditive Effects in Small Metal and Polyatomic Molecular Clusters s.1432-1446
    • Jortner, J.; Rosenblit, M., Long-Range Potential for Excess Electron Surface States on Helium Clusters s.1447-1453
    • Kaplan, I.G., Many-Body Interactions, Symmetry Adapted Perturbation Theory and Chemical Bonding in Beryllium Clusters s.1454-1463
    • Cieplak, P., Dependence of the Solvation Free Energies on Atomic Charge Distribution s.1464-1471
    • Kłobukowski, M., Proton Affinities of Rare Gases s. 1472-1478
    • Moszynski, R.; Korona, T.; Heijmen, T.G.A, Second Virial Coefficients for Atom-Molecule Complexes from Ab Initio SAPT Potentials s.1479-1496
    • Hobza, P.; Burda, J.V.; Zahradnik, R., Isoelectronic Dimers [(XH3)2,(YH2)2,(ZH)2, and (Rg)2] in the Groups of the Periodic System: Ab Initio Quantum Chemical Calculations s. 1497-1504
    • Rak, J.; Szczśniak, M.M.; Chałasiński, G., The Influence of the O-H Stretch and O---O Distance on the Many-Body Interactions in the Cyclic Water-Trimer s. 1505-1523
    • Sauer, J.; Bleiber, A., H-bridged Gas Phase Clusters of Methanol( Dimers to Hexamers): Ab Initio Calculations of their Structure and Vibrational Spectra s. 1524-1539
    • Berski, S; Latajka, Z., Periodic Hartree-Fock Studies on (HCl) Chain s.1540-1550
    • Brocławik, E., Quantum Chemical Description of Catalytic Activation of the C-H Bond s.1551-1564
    • Witko, M; Tokarz, R.; Herman, K., Cluster Model Studies on Catalytic Properties of Vanadium Pentoxide s.1565-1583
    • Slawik, M.; Petelenz, P., Low Frequency Vibrations in Electroabsorption Spectroscopy s.1584-1592
    • Dobrowolski, J.Cz.; Mazurek, A.P., Carbyne Trefoil Konts- Are They Stable Enough to Exist? s.1593-1603
    • Gutsev, G.L.; Barlett, R.J., Electron Affinity of Ch3 and Bh3 and the Structure of their Anions s.1604-1614
    • Smets, J.; Smith, D.M.A.; Elkadi, Y., Ab Initio Theoretical Study of Dipole-Bound Anions of Molecular Complexes. Ater Molecule Inhibits or Enhances Electron Affinity of N-Methylaminoadenine s. 1615-1623
    • Jackowski, K.; Leś, A.; Dąmbska, A., GIAO-CHF and Experimental Study of the Substituent Effects on 13 C Magnetic Shielding in Benzene Derivatives s.1624-1629
    • Babinec, P.; Leszczyński, J., The Existence of Two Isometric Forms of Monofluorinated Hydrogen Sulfide: A New Theoretical Rationale for Experimentally Observed Infrared Spectrum s.1630-1634
    • Piecuch, P.;Špirko, Paldus, J., Dipole Moment and Polarizability Functions of Ammonia: A Linear-Response Coupled-Cluster Study s.1635-1656
    • Ladik, J.J., Prediction of Polymers with Several Optimal Physical Properties s.1657-1666
    • Olszewski, K.A., Ab Initio Protein Folding- Is Conformational Space Searching Enough? s.1667-1679
    • Pohorille, A., Transient Cavities in Liquids and the Nature of the Hyrohobic Effect s. 1680-1690
    • Stolarczyk, L.Z., On the Hierarchy of π-electron Models s.1691-1736
    • Proft de F; Geerling, P.; Liur, S., Variational Calculations of the Global Hardness and the Fukui Function via and Approximation of the Hardness Kernel s. 1737-1746
    • Andzeim, J., Density Functional Method-Priniciples and Applications s. 1747-1762
    • Nalewajski, R.F., On the Chemical Potential/Electronegativity Equalization in Density Functional Theory s. 1763-1778
    • Mrozek, J.; Nalewajski, R.F.; Michalak, A., Exploring Bonding Patterns of Molecular Systems Using Quantum Mechanical Bond Multiplicities s. 1779-1791
    • Bakalarski, G.; Lesyng, B., Theoretical Density Functional Studies of Tautomeric and Conformational Forms and N4- hydroxycytosine and its 5-fluoro and 5-methyl Derivatives s.1792-1797
    • Bartczak, W.M.; Sopek, M., Electron Localization in Liquid Methanol. Quantum Path-Integral Simulation s.1798-1825
    • Multiple Electron Exchanges in Calculations of Pairwise Nonadditive Contribution to Trimer Interaction Energy s. 1826-1848
    • Pillardy, J.; Piela, L., Multiple Elliptical-Gaussian-Density Annealing as a Tool for Finding the Most Stable Strutures. Application to Lennard-Jones Atomic Clusters s.1849-1857
  • Vol. 72 no. 8 (1998)
  • Vol. 72 no. 9 (1998)
  • Vol. 72 no. 10 (1998)
  • Vol. 72 no. 11 (1998)
  • Vol. 72 no. 12 (1998)
  • Vol. 71 no. 1 (1997)
  • Vol. 71 no. 2 (1997)
  • Vol. 71 no. 3 (1997)
  • Vol. 71 no. 4 (1997)
  • Vol. 71 no. 5 (1997)
  • Vol. 71 no. 6 (1997)
  • Vol. 71 no. 7 (1997)
  • Vol. 71 no. 8 (1997)
  • Vol. 71 no. 9 (1997)
  • Vol. 71 no. 10 (1997)
  • Vol. 71 no. 11 (1997)
  • Vol. 71 no. 12 (1997)
  • Vol. 70 no. 1 (1996)
  • Vol. 70 no. 2 (1996)
  • Vol. 70 no. 3 (1996)
  • Vol. 70 no. 4 (1996)
  • Vol. 70 no. 5 (1996)
  • Vol. 70 no. 6 (1996)
  • Vol. 70 no. 7 (1996)
  • Vol. 70 no. 8 (1996)
  • Vol. 70 no. 9 (1996)
  • Vol. 70 no. 10 (1996)
  • Vol. 70 no. 11 (1996)
  • Vol. 70 no. 12 (1996)
  • Vol. 67 no. 1 (1993)
  • Vol. 67 no. 2 (1993)
  • Vol. 67 no. 3 (1993)
  • Vol. 67 no. 4 (1993)
  • Vol. 67 no. 5 (1993)
  • Vol. 67 no. 6 (1993)
  • Vol. 67 no. 7 (1993)
  • Vol. 67 no. 8 (1993)
  • Vol. 67 no. 9 (1993)
  • Vol. 67 no. 10 (1993)
  • Vol. 67 no. 11 (1993)
  • Vol. 67 no. 12 (1993)
  • Vol. 68 no. 1 (1994)
  • Vol. 68 no. 2 (1994)
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  • Vol. 68 no. 6 (1994)
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  • Vol. 68 no. 8 (1994)
  • Vol. 68 no. 9 (1994)
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  • Vol. 68 no. 11 (1994)
  • Vol. 69 no. 1 (1995)
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  • Vol. 69 no. 4 (1995)
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  • Vol. 69 no. 9 (1995)
  • Vol. 69 no. 10 (1995)
  • Vol. 69 no. 11 (1995)
  • Vol. 69 no. 12 (1995)
  • Vol. 66 no. 1 (1992)
  • Vol. 66 no. 2 (1992)
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  • Vol. 66 no. 4 (1992)
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  • Vol. 66 no. 8 (1992)
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  • Vol. 66 no. 10 (1992)
  • Vol. 66 no. 11 (1992)
  • Vol. 66 no. 12 (1992)
  • Vol. 68 no. 5 (1994)
  • Vol. 68 no. 12 (1994)
  • Polish Journal of Chemistry. T. 76, nr 1
  • Polish Journal of Chemistry. T. 62, nr 1/3
  • Chwojnowska, Elżbieta, January 2018, An organometellic route to colloidal ZnO nanocrystals

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