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JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY
Rivista
Codice:
E093274
ISSN:
1089-5639
Dati Generali
Dati Generali
Pubblicazioni (22)
Pulisci
Ordina Pubblicazioni:
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decrescente
An efficient and robust implementation of CASSCF linear response theory
Articolo
Are There Atoms Inside Atomic Anions? H– and Li– Revisited
Articolo
Assessment of the Effects of Anisotropic Interactions among Hydrogen Molecules and Their Isotopologues: A Diffusion Monte Carlo Investigation of Gas Phase and Adsorbed Clusters
Articolo
Energy and density analyses of the 1 Sigma u states in the H2 molecule from the united atom to dissociation.
Articolo
Exciplexes with Ionic Dopants: Stability, Structure and Experimental Relevance of M+(2P)Hen(M=Sr, Ba)
Articolo
Excited-state dynamics of bis-dehydroxycurcumin carboxylic acid, a water-soluble derivative of the photosensitizer curcumin
Articolo
First principles studies on boron sites in Zeolites
Articolo
Hartree-Fock-Heitler-London Method. 2. First and Second Row Diatomic Hydrides
Articolo
Modeling CO and N2 adsorption at Cr surface species of Phillips catalyst by hybrid density functionals: effect of Hartree-Fock exchange percentage
Articolo
Multiple Bonds and excited states from the Hartree-Fock-Heitler-London Method Homopolar Diatomic molecules.
Articolo
Multiple bonds and excited states from the Hartree-Fock-Heitler-London method
Articolo
Quest for Inexpensive Hydrogen Isotopic Fractionation: Do We Need 2D Quantum Confining in Porous Materials or Are Rough Surfaces Enough? The Case of Ammonia Nanoclusters
Articolo
Solubility of Metal Atoms in Helium Droplets: Exploring the Effect of the Well Depth Using the Coinage Metals Cu and Ag
Articolo
Structure and energetics of ammonia clusters (NH3)n (n=3-20) investigated using a rigid-polarizable model derived from ab initio calculations
Articolo
Study of the structure, energetics, and vibrational properties of small ammonia clusters (NH3)n (n=2-5) using correlated ab initio methods
Articolo
TS-1 from First Principles
Articolo
The Hartree-Fock-Heitler-London Method, III: Correlated Diatomic Hydrides.
Articolo
The structure of the asymmetric helium trimer 3He 4He2
Articolo
Three-fragment counterpoise correction of potential energy curves for proton-transfer reactions
Articolo
Van der Waals interaction energies of helium, neon, and argon with naphthalene
Articolo
Vibrationally Inelastic Collision Between Li2(ν = 0) and Li: Direct and Postponed Elongation Mechanisms
Articolo
What Is the Shape of the Helium Trimer? A Comparison with the Neon and Argon Trimers
Articolo
No Results Found
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