RE.PUBLIC@POLIMI pubblicazioni di ricerca del Politecnico di Milano

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Titolo Data di pubblicazione Autori File
Spatial energetics of protonated LiH: lower-lying potential energy surfaces from valence bond calculations” J. Phys. Chem. A 102(47), 9390-9398 (2000) (U 1-gen-2000 FAMULARI, ANTONINO +
The transferability of extremely localized molecular orbitals 1-gen-2000 FAMULARI, ANTONINO +
Applications of a variational coupled-electron pair approach to the calculation of intermolecular interaction in the framework of the VB theory: Study of the van der Waals complex He-CH4 Source: JOURNAL OF CHEMICAL PHYSICS Volume: 113 Issue: 16 Pages: 6724-6735 Published: OCT 22 2000 Times Cited: 10 1-gen-2000 FAMULARI, ANTONINO +
Ab initio non-orthogonal approaches to weakly interacting systems 1-gen-2001 FAMULARI, ANTONINO +
Ab initio non-orthogonal approaches to weakly interacting systems 1-gen-2001 FAMULARI, ANTONINO +
Structural elucidation of bipyridine helicates complexes and their precursors by NMR spectroscopy 1-gen-2001 FAMULARI, ANTONINO +
Ab initio study of helium dimer 1-gen-2001 FAMULARI, ANTONINO +
A multireference valence bond approach to electronic excited states 1-gen-2001 FAMULARI, ANTONINO +
Application of the DIIS technique to improve the convergence properties of the SCF-MI algorithm 1-gen-2001 FAMULARI, ANTONINO +
Ab initio study on the crystallographic solvation pattern of the cytosine-guanine base pair in DNA 1-gen-2001 FAMULARI, ANTONINO +
Ab initio non-orthogonal approaches to the computation of weak interactions and of localised molecular orbitals for QM/MM procedures 1-gen-2001 FAMULARI, ANTONINO +
The structure of lithium and potassium cations coordinated by ammonia molecules in the gas phase as revealed by ab initio SCF-MI calculations 1-gen-2001 FAMULARI, ANTONINO +
Ab initio computational approaches to weakly interacting systems in the framework of the Valence Bond theory: from small to large van der Waals molecules 1-gen-2002 FAMULARI, ANTONINO +
Hartree-fock Study of Hydrogen-bonded Systems in the Absence of Basis-set Superposition Error the Nucleic-acid Base Pairs 1-gen-2002 FAMULARI, ANTONINO +
Cooperative hydrogen bonds in the complexes of the H5O2+ and H3O+ cations with polyethers in water saturated dichloroethane. A combined IR spectroscopic and quantum mechanics study 1-gen-2002 FAMULARI, ANTONINO +
A new MO-VB approach for the determination of intermolecular forces. Theory and application to the He2, He-CH4 and He-H2O systems 1-gen-2002 FAMULARI, ANTONINO +
Solid-state optical and structural modifications induced by temperature in a chiral poly-3-alkylthiophene 1-gen-2002 FAMULARI, ANTONINOMEILLE, STEFANO VALDO +
Computational reinvestigation of the bithiophene torsion potential 1-gen-2003 RAOS, GUIDOFAMULARI, ANTONINO +
Stabilization of the Noncomplementary Guanine-Adenine Base Pairs by Zn(II) Ions. An ab Initio SCF-MI Study 1-gen-2003 FAMULARI, ANTONINO +
The benzene/water/hexafluorobenzene trimer: a computational study 1-gen-2003 FAMULARI, ANTONINO +
Mostrati risultati da 21 a 40 di 164
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