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La ricerca find articoli where soggetti phrase all words 'empirical force fields' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 6 riferimenti
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    1. Norrby, PO
      Selectivity in asymmetric synthesis from QM-guided molecular mechanics

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    2. Groth, M; Malicka, J; Czaplewski, C; Oldziej, S; Lankiewicz, L; Wiczk, W; Liwo, A
      Maximum entropy approach to the determination of solution conformation of flexible polypeptides by global conformational analysis and NMR spectroscopy - Application to DNS1-c-[D-A(2)bu(2), Trp(4),Leu(5)]-enkephalin and DNS1-c-[D-A(2)bu(2), Trp(4), d-Leu(5)]enkephalin

      JOURNAL OF BIOMOLECULAR NMR
    3. Pilati, T; Demartin, F; Gramaccioli, CM
      Lattice-dynamical evaluation of atomic displacement parameters and thermodynamic functions for phenakite Be2SiO4

      PHYSICS AND CHEMISTRY OF MINERALS
    4. Rodriguez, AM; Baldoni, HA; Suvire, F; Vazquez, RN; Zamarbide, G; Enriz, RD; Farkas, O; Perczel, A; McAllister, MA; Torday, LL; Papp, JG; Csizmadia, IG
      Characteristics of Ramachandran maps of L-alanine diamides as computed by various molecular mechanics, semiempirical and ab initio MO methods. A search for primary standard of peptide conformational stability

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    5. PILATI T; DEMARTIN F; GRAMACCIOLI CM
      LATTICE-DYNAMICAL ESTIMATION OF ATOMIC DISPLACEMENT PARAMETERS IN CARBONATES - CALCITE AND ARAGONITE CACO3, DOLOMITE CAMG(CO3)(2) AND MAGNESITE MGCO3

      Acta crystallographica. Section B, Structural science
    6. HOBZA P; KABELAC M; SPONER J; MEJZLIK P; VONDRASEK J
      PERFORMANCE OF EMPIRICAL POTENTIALS (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), SEMIEMPIRICAL QUANTUM-CHEMICAL METHODS (AM1, MNDO M, PM3), AND AB-INITIO HARTREE-FOCK METHOD FOR INTERACTION OF DNA BASES - COMPARISON WITH NONEMPIRICAL BEYOND HARTREE-FOCK RESULTS/

      Journal of computational chemistry


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Documento generato il 29/10/20 alle ore 03:11:38