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La ricerca find articoli where authors phrase all words ' Nachtigall, P' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 23 riferimenti
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    1. Steckel, JA; Phung, T; Jordan, KD; Nachtigall, P
      Concerted use of slab and cluster models in an ab initio study of hydrogendesorption from the Si(100) surface

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Nachtigall, P; Davidova, M; Nachtigallova, D
      Computational study of extraframework Cu+ sites in ferrierite: Structure, coordination, and photoluminescence spectra

      JOURNAL OF PHYSICAL CHEMISTRY B
    3. Nachtigallova, D; Nachtigall, P; Sauer, J
      Coordination of Cu+ and Cu2+ ions in ZSM-5 in the vicinity of two framework Al atoms

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    4. Silhan, M; Nachtigallova, D; Nachtigall, P
      Characterization of Ag+ sites in ZSM-5: A combined quantum mechanics/interatomic potential function study

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    5. Jurecka, P; Nachtigall, P; Hobza, P
      RI-MP2 calculations with extended basis sets - a promising tool for study of H-bonded and stacked DNA base pairs

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    6. Pittner, J; Nachtigall, P; Carsky, P; Hubac, I
      State-specific Brillouin-Wigner multireference coupled cluster study of the singlet-triplet separation in the tetramethyleneethane diradical

      JOURNAL OF PHYSICAL CHEMISTRY A
    7. Zdanska, P; Nachtigallova, D; Nachtigall, P; Jungwirth, P
      Nonadiabatic interactions between the ground and low-lying excited electronic states: Vibronic states of the Cl-HCl complex

      JOURNAL OF CHEMICAL PHYSICS
    8. Nachtigall, P; Nachtigallova, D; Sauer, J
      Coordination change of Cu+ sites in ZSM-5 on excitation in the triplet state: Understanding of the photoluminescence spectra

      JOURNAL OF PHYSICAL CHEMISTRY B
    9. Xie, DQ; Guo, H; Bludsky, O; Nachtigall, P
      Absorption and resonance emission spectra of SO2((X)over-tilde(1)A(1)/(C)over-tilde(1)B(2)) calculated from ab initio potential energy and transitiondipole moment surfaces

      CHEMICAL PHYSICS LETTERS
    10. Bludsky, O; Nachtigall, P; Hrusak, J; Jensen, P
      The calculation of the vibrational states of SO2 in the (C)over-tilde(1)B(2) electronic state up to the SO((3)Sigma(-))+O(P-3) dissociation limit

      CHEMICAL PHYSICS LETTERS
    11. Nachtigallova, D; Nachtigall, P; Sierka, M; Sauer, J
      Coordination and siting of Cu+ ions in ZSM-5: A combined quantum mechanicsinteratomic potential function study

      PCCP PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    12. Pittner, J; Nachtigall, P; Carsky, P; Masik, J; Hubac, I
      Assessment of the single-root multireference Brillouin-Wigner coupled-cluster method: Test calculations on CH2, SiH2, and twisted ethylene

      JOURNAL OF CHEMICAL PHYSICS
    13. Atkinson, S; Combelles, C; Vincent, D; Nachtigall, P; Pawloski, J; Breese, M
      Monitoring of progesterone in captive female false killer whales, Pseudorca crassidens

      GENERAL AND COMPARATIVE ENDOCRINOLOGY
    14. Nachtigall, P; Hrusak, J; Bludsky, O; Iwata, S
      Investigation of the potential energy surfaces for the ground (X)over-tilde(1)A(1) and excited (C)over-tilde(1)B(2) electronic states of SO2

      CHEMICAL PHYSICS LETTERS
    15. BOROWSKI P; JORDAN KD; NICHOLS J; NACHTIGALL P
      INVESTIGATION OF A HYBRID TCSCF-DFT PROCEDURE

      Theoretical chemistry accounts
    16. NACHTIGALLOVA D; SLAVICEK P; NACHTIGALL P; JUNGWIRTH P
      WATER PHOTOLYSIS IN RARE-GAS ENVIRONMENT - THE CASPT2 EXCITED-STATE H2O((A)OVER-TILDE)-AR POTENTIAL

      Collection of Czechoslovak Chemical Communications
    17. NACHTIGALLOVA D; DAVIDOVA M; NACHTIGALL P
      RELIABILITY OF DFT METHODS FOR DESCRIPTION OF CU SITES AND THEIR INTERACTION WITH NO IN ZEOLITES

      Collection of Czechoslovak Chemical Communications
    18. NACHTIGALL P; JORDAN KD; SMITH A; JONSSON H
      INVESTIGATION OF THE RELIABILITY OF DENSITY-FUNCTIONAL METHODS - REACTION AND ACTIVATION-ENERGIES FOR SI-SI BOND-CLEAVAGE AND H-2 ELIMINATION FROM SILANES

      The Journal of chemical physics
    19. NACHTIGALL P; JORDAN KD
      BARRIERS FOR HYDROGEN-ATOM DIFFUSION ON THE SI(100)-2X1 SURFACE

      The Journal of chemical physics
    20. SMITH AP; WIGGS JK; JONSSON H; YAN H; CORRALES LR; NACHTIGALL P; JORDAN KD
      SI ADATOM BINDING AND DIFFUSION ON THE SI(100) SURFACE - COMPARISON OF AB-INITIO, SEMIEMPIRICAL AND EMPIRICAL POTENTIAL RESULTS

      The Journal of chemical physics
    21. NACHTIGALL P; JORDAN KD; SOSA C
      THEORETICAL-STUDY OF THE MECHANISM OF RECOMBINATIVE HYDROGEN DESORPTION FROM THE MONOHYDRIDE PHASE OF SI(100) - THE ROLE OF DEFECT MIGRATION

      The Journal of chemical physics
    22. NACHTIGALL P; JORDAN KD
      TEMPERATURE-PROGRAMMED DESORPTION OF MOLECULAR-HYDROGEN FROM A SI(100)-2X1 SURFACE - THEORY AND EXPERIMENT - COMMENT

      The Journal of chemical physics
    23. NACHTIGALL P; JORDAN KD; SOSA C
      AB-INITIO CALCULATION OF THE ENERGY OF RECOMBINATIVE HYDROGEN DESORPTION FROM THE MONOHYDRIDE PHASE OF SI(100)

      Journal of physical chemistry


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 26/10/20 alle ore 14:51:30