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Mostrati risultati da 1.054 a 1.073 di 1.925
Titolo Data di pubblicazione Autori Tipo File
Models of Aged Magnesium–Silicate–Hydrate Cements Based on the Lizardite and Talc Crystals: A Periodic DFT-GIPAW Investigation 2017 PALAZZETTI, FEDERICOBARONE, Vincenzo + 1.1 Articolo in rivista
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 2019 NANDI, SURAJITCalderini D.Bloino J.Rampino S.Barone V. 2.1 Contributo in volume (Capitolo o Saggio)
Modification and photostabilization of low density polyethylene film by photodecomposition of various diazo-compounds and methyl azidocarboxylate 2007 CAPPELLI, Chiara + 1.1 Articolo in rivista
Modified virtual orbitals for CI calculations of energy splitting in organic diradicals 2009 BARONE, Vincenzo + 1.1 Articolo in rivista
A Modular Implementation for the Simulation of 1D and 2D Solid-State NMR Spectra of Quadrupolar Nuclei in the Virtual Multifrequency Spectrometer-Draw Graphical Interface 2017 Pedone, AlfonsoLicari, DanieleBarone, Vincenzo + 1.1 Articolo in rivista
MODULATION OF INTRAMOLECULAR PROTON-TRANSFER BY ELECTRONIC EXCITATION AND ENVIRONMENT - 2-PYRIDONE AS A CASE-STUDY 1994 BARONE, Vincenzo + 1.1 Articolo in rivista
Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores 2008 CAPPELLI, Chiara + 1.1 Articolo in rivista
Modulation of the Superstructure and Response of Macromolecules through Molecular Interactions and Nanodispersion 2006 CAPPELLI, Chiara + 2.1 Contributo in volume (Capitolo o Saggio)
Modulation of π character upon complexation captured by molecular rotation spectra 2022 Qin YangZhongming JiangJulien Bloino + 1.1 Articolo in rivista
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems 2014 SALVADORI, ANDREAMANCINI, GIORDANOBARONE, Vincenzo + 2.1 Contributo in volume (Capitolo o Saggio)
Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface 2011 BARONE, Vincenzo + 1.1 Articolo in rivista
Molecular dynamics simulations enforcing nonperiodic boundary conditions: new developments and application to the solvent shifts of nitroxide magnetic parameters 2022 Mancini, GiordanoLipparini, FilippoScalmani, GiovanniBarone, Vincenzo + 1.1 Articolo in rivista
Molecular dynamics simulations in a NpT ensemble using non-periodic boundary conditions 2009 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl2 2004 CAPPELLI, Chiara + 1.1 Articolo in rivista
Molecular electrometer and binding of cations to phospholipid bilayers 2016 Catte, Andrea + 1.1 Articolo in rivista
Molecular Modelling Of BCRP (ABCG2) Multidrug Resistance Protein And Docking Of New Camptothecin Analogues 2009 MANCINI, GIORDANO + 1.1 Articolo in rivista
Molecular Perception for Visualization and Computation: The Proxima Library 2020 Lazzari F.Salvadori A.Mancini G.Barone V. 1.1 Articolo in rivista
Molecular properties in solution described with a continuum solvation model 2002 CAPPELLI, Chiara + 1.1 Articolo in rivista
Molecular Reaction Dynamics in Gases, Liquids and Interfaces: General Discussion 2012 SKOUTERIS, Dimitrios + 1.1 Articolo in rivista
Molecular spectroscopy of aqueous solutions: a theoretical perspective 2020 Giovannini, TommasoEgidi, FrancoCappelli, Chiara 1.1 Articolo in rivista
Mostrati risultati da 1.054 a 1.073 di 1.925
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