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MOLECULAR PHYSICS
Rivista
Codice:
E112272
ISSN:
0026-8976
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Dati Generali
Pubblicazioni (124)
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2 PHOTON BOUND BOUND ELECTRONIC-TRANSITION CALCULATIONS IN MOLECULES - RESULTS FOR NH3 AND HF
Articolo
22nd Colloquium on High Resolution Molecular Spectroscopy: Special Issue dedicated to Gianfranco Di Lonardo
Articolo
3-BODY CORRELATION SPECTRA FROM COLLISION-INDUCED LIGHT-SCATTERING BY SF6 AND CF4
Articolo
A Full Configuration Interaction calculation of the density dependence of the 3He shielding constant.
Articolo
A combined crossed molecular beam and quasiclassical trajectory study of the Titan-relevant N(D-2) + D2O reaction
Articolo
A combined theoretical and experimental study of the ultrafast photophysics of Rhodamine B
Articolo
A flexible atomic and polarizable potential for water application to small clusters
Articolo
A narrow-linewidth optical parametric oscillator for mid-infrared high-resolution spectroscopy
Articolo
A study of the NO radical with PE and CIS spectroscopy: investigation of NO(b(3)Pi, 3p) and NO(b(3)Pi, 4p) Rydberg states
Articolo
A study of the large amplitude motions of indoline through microwave spectroscopy and ab initio calculations. Evidence of ring puckering and butterfly motion coupling.
Articolo
A valence-space-only approach to the calculation of the electronic structure of many electron systems
Articolo
AN X-RAY-DIFFRACTION STUDY OF LIQUID CHLORINE
Articolo
Ab initio calculation of the refractivity and hyperpolarizability second virial coefficients of the neon gas.
Articolo
Ab initio dynamics of the He+H-2(+)-> HeH++H reaction: a new potential energy surface and quantum mechanical cross-sections
Articolo
Absolute frequency measurements of CO2 transitions at 4.3 m with a comb-referenced quantum cascade laser
Articolo
An ab initio electronic density study of the CH4-Ar, CH4-Xe, CH4-H2O and CH4-H2S complexes: insights into the nature of the intermolecular interaction
Articolo
An experimental and computational study of the valence photoelectron spectra of halogenated pyrimidines
Articolo
Analysis of FTIR spectra of (CH2BrCl)-Br-79-Cl-35; the nu(3) and nu(9) fundamentals
Articolo
Analysis of FTIR spectra of CH279Br35Cl, the n3 and n9 fundamentals.
Articolo
Analysis of FTIR spectra of CH279Br35Cl; the nu3 and nu9 fundamentals
Articolo
Anomalous melting and solid polymorphism of a modified inverse-power potential
Articolo
Applicability of medium-size basis sets in calculation of electric dipole dynamic polarisabilities and first hyperpolarisabilities of non-interacting molecules
Articolo
Application of phenomenological freezing and melting indicators to exp-6 and Gaussian core potentials
Articolo
Bose soft discs: a minimal model for supersolidity
Articolo
CHAIR CONFORMATION AND BARRIER TO RING PUCKERING IN 1,3-BENZODIOXOLE
Articolo
Carbon paramagnetic defects in silica sol-gel prepared materials
Articolo
Cavitation of electron bubbles in liquid parahydrogen
Articolo
Complexation of the calcium cation with antamanide: An experimental and theoretical study
Articolo
Composition-dependent melting behaviour of NaxK55-x core-shell nanoalloys
Articolo
Coupled cluster calculations of the ground state potential and interaction induced electric properties of the mixed dimers of helium, neon and argon
Articolo
Density dependence of electric properties of binary mixtures of inert gases
Articolo
Density dependence of the electric-field-gradient induced birefringence of the helium, neon and argon gases.
Articolo
Density functional theory calculations of nuclear quadrupole coupling constants with calibrated 14N quadrupole moments
Articolo
Density functional theory calculations of nuclear quadrupole coupling constants with calibrated 17O quadrupole moments
Articolo
Dynamics on reactive potential energy surfaces: hyperspherical view and signatures of 'quantum chaos'
Articolo
ELECTRONIC MOLECULAR-PROPERTIES BY MANY-BODY GREENS FUNCTION METHOD - LIH AND H2O
Articolo
ENDOR study of a solitonic phase in a ?-irradiated single crystal of the malonic acid-urea 1: 1 adduct
Articolo
ENDOR study of the displacements of the HCO2 - groups in the formation of secondary radicals in an X-irradiated single crystal of ?-calcium formate
Articolo
Effective potential method for active particles
Articolo
Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect
Articolo
Efficiency of (R,T) energy transfer in He, Ar-N2 collisions
Articolo
Electron spin resonance and structural analysis of water soluble, alanine-rich peptides incorporating TOAC
Articolo
Electronic molecular properties by the many-body Green's function method: LiH and H2O
Articolo
Experimental and theoretical study on complexation of the lithium cation with [Gly(6)]-antamanide
Articolo
Fifth virial coefficient of a hard-sphere mixture
Articolo
Fifth virial coefficient of a two-component mixture of hard discs
Articolo
Fifth virial coefficient of hard sphere mixtures
Articolo
Fluid-fluid demixing curves for colloidpolymer mixtures in a random colloidal matrix
Articolo
Fourth virial coefficient of hard-body mixtures in two and three dimensions
Articolo
Fourth virial coefficient of hard-body mixtures in two and three dimensions
Articolo
Full configuration interaction studies of phonon and photon transition rates in semiconductor quantum dots
Articolo
Generalized self-consistent valence bond method for ground and excited potential energy surfaces. I -Application to LiH states of Sigma and Pi symmetry
Articolo
Grand Canonical Monte Carlo study of argon adsorption in aluminium nanopores
Articolo
HYPERACOUSTIC PROPERTIES AND LOCAL-STRUCTURE IN HYDRATED MOLTEN-SALTS
Articolo
High resolution FTIR spectra and analysis of the n11 fundamental and of the n2+n11, n5+n12 and n7+n16 combination of 12C6D6
Articolo
High resolution FTIR spectra and analysis of the n4+n8 combination band and of the 2n4+n8-n4 hot-band of CH235Cl2
Articolo
High resolution FTIR spectra and analysis of the nu(11) fundamental and of the nu(2)+nu(11), nu(5)+nu(12) and nu(7)+nu(16) combination bands of (C6D6)-C-12
Articolo
High resolution FTIR spectra and analysis of the nu(4)+nu(8) combination band and of the 2 nu(4)+nu(8)-nu(4) hot band of (CH2Cl2)-Cl-35
Articolo
High resolution infrared spectrum and analysis of the 2v 3, 3v 3-v 3 and v 1-v 3 bands of CF3 Br
Articolo
High resolution infrared spectrum and analysis of the v 2 band of CF 3 I
Articolo
High-resolution Fourier-transform infrared spectroscopy of the v 3(F2) fundamental of RuO4
Articolo
High-resolution infrared spectrum and analysis of the v 11, A2u(B2) fundamental band of 12C6H6 and 13C12C5H6
Articolo
High-resolution spectra and analysis of the hot bands of the v 2 vibration of CF 3 Cl (v 2 + v n - v n , n = 3, 5, 6)
Articolo
Hydroxyl end groups influence in vibrational and transport properties in polymer/monomer solutions: the PEO/EG case
Articolo
Inelastic Neutron Scattering Spectroscopy of C60@Calix[8]arene
Articolo
Interatomic interactions and the Cotton-Mouton effect for helium.
Articolo
Investigation of Size Effects on the Physical Properties of One-Dimensional Ising Models In Nano systems
Articolo
Ionic conduction in non-uniform nanopores and DNA translocation: a Nernst-Planck-Jacobs one-dimensional description
Articolo
Laser cooling of rotation and vibration by optical pumping
Articolo
Line shape and moment analysis in depolarized induced light scattering
Articolo
Modulated phases and structural arrest in colloidal systems with competing interactions
Articolo
Molecular dynamics of polymers with explicit but frozen hydrogens
Articolo
Neutron diffraction from low-density CD4 gas
Articolo
Non-planarity and barrier to ring puckering in phthalan
Articolo
Nonlinear Langevin model for the early-stage dynamics of electrospinning jets
Articolo
Nucleation dynamics in neon trimer photoionization: a time-dependent modelling
Articolo
Numerical integration of projective Hamiltonian dynamics
Articolo
Numerical integration of projective Hamiltonian dynamics
Articolo
ORIGIN OF PHASE-TRANSITION SHIFTS OF IONIZATION ENERGIES IN WATER
Articolo
On the gas-liquid phase separation and the self-assembly of charged soft dumbbells
Articolo
Optically induced circular and axial birefringences in achiral fluids: an ab initio study of the optical Faraday effect
Articolo
Origin of phase transition shifts of ionization energies in water
Articolo
PHOTOIONIZATION CROSS-SECTION CALCULATIONS OF HCL BY THE STIELTJES TECHNIQUE - EFFECT OF THE CHANNEL COUPLING
Articolo
Photoelectron spectroscopy of atomic oxygen using the Elettra synchrotron source
Articolo
Photoionization cross section calculations of HCl by the Stieltjes technique
Articolo
Photoionization spectroscopy of excited states of cold caesium dimers
Articolo
Physical Mechanisms of Spin Echoes. I. Two-pulse Locked Echo
Articolo
Polarizability of a pair of hydrogen molecules
Articolo
Pseudopotential calculations on hydrogen bonded systems : H2O, CH3OH and HCOOH
Articolo
RELAXATION PHENOMENA IN MIXED ISOMERIC ALCOHOLS BY MANDELSTAM-BRILLOUIN SCATTERING
Articolo
RING PUCKERING MOTION IN INDAN - A MICROWAVE SPECTROSCOPY STUDY
Articolo
Raman Optical Activity spectra: basis set and electron correlation effects.
Articolo
Seeking for binding determinants of the prion protein to human plasminogen
Articolo
Self and collective correlation functions in a gel of tetrahedral patchy particles
Articolo
Simulation of Dicke-narrowed molecular spectra recorded by off-axis high-finesse optical cavities
Articolo
Simulation of Dicke-narrowed molecular spectra recorded by off-axis high-finesse optical cavities
Articolo
Single-pulse Echo and Oscillatory FID: The Importance of Rephasing
Articolo
Special issue: 23rd Colloquium on High Resolution Molecular Spectroscopy
Articolo
Spectroscopic evidence of aggregation processes in porphyrin-based star-polymers aqueous solutions
Articolo
Spectroscopic evidence of aggregation processes in porphyrin-based star-polymers in aqueous solutions
Articolo
Structure and diffusion in aluminium and gallium trihalide melts from simulations based on intramolecular force laws
Articolo
Study of the mechanism of formation of CH2+(2A1,2B1) from C+(2P) + H2 using spin-coupled valence bond theory
Articolo
The Interaction of Cr(CO)3 on the (n,0) Nanotube Side-Walls: a Density Functional Study through a Cluster Model Approach
Articolo
The double donor/acceptor role of the NH3 group: microwave spectroscopy of the aminoethanol-ammonia molecular complex
Articolo
The magnetizability, rotational g tensor and quadrupole moment of the boron trihalides.
Articolo
The nu(1) and nu(3) bands of ND3
Articolo
The nu(3) band of (CO2)-C-14-O-16 molecule measured by optical-frequency-comb-assisted cavity ring-down spectroscopy
Articolo
The photo-excited triplet state of chlorophyll d in methyl-tetrahydrofuran studied by optically detected magnetic resonance and time-resolved EPR
Articolo
The reverse Monte Carlo technique applied to fluids of diatomic molecules
Articolo
The spectral profile of the collision-induced translational light scattering by gaseous CH4. Determination of the pair polarizability anisotropy
Articolo
The third virial coefficient of depolarised-light-scattering spectral moments for moderately quantum systems
Articolo
Theoretical gas and dielectric second virial coefficients of CO-Ar
Articolo
Theoretical investigation of the hydrogen atom transfer in the hydrated C-G base pair
Articolo
Three-stage multiscale modelling of the NMDA neuroreceptor
Articolo
Time-resolved EPR investigation of charge recombination to a triplet state in a carotene-diporphyrin triad
Articolo
Transport Phenomena and Anomalous Glass-Forming behaviour in alpha,alpha-Trehalose aqueous solutions
Articolo
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach
Articolo
Twenty-first Colloquium on High-Resolution Molecular Spectroscopy Castellammare di Stabia, 30 August to 4 September 2009
Articolo
Two photon bound-bound electronic transition calculations in molecules
Articolo
Ultrafast coherent nanoscopy
Articolo
Valence photoionization and photofragmentation of aromatic amino acids
Articolo
Valence-space-only calculations on molecules: polarization effects
Articolo
X-ray diffraction and ENDOR investigation of hydrogen bonding in malonic acid-urea 1 : 1 adduct I. X-ray diffraction
Articolo
X-ray diffraction and ENDOR investigation of hydrogen bonding in malonic acid-urea 1: 1 adduct: II. Endor
Articolo
No Results Found
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