List of works - Raffaele Guido Della Valle

A dynamical model of excimer instability in molecular crystals

A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes.

scientific article published on 17 January 2018

A third blind test of crystal structure prediction.

scientific article published on 23 September 2005

Absorption, Photoluminescence, and Polarized Raman Spectra of a Fourfold Alkoxy-Substituted Phthalocyanine Liquid Crystal

Are crystal polymorphs predictable? The case of sexithiophene

scientific article published in July 2008

Car-Parrinello MD simulations for the Na+ -phenylalanine complex in aqueous solution

scientific article

Coupling between lattice and intramolecular modes in 9,10-dimethylanthracene: Raman spectra under pressure and quasi-harmonic lattice dynamics calculations

Crystal-to-crystal photoinduced reaction of dinitroanthracene to anthraquinone

scientific article published on 15 October 2012

DFT Investigation of Oligothiophenes on a Si(001) Surface

Do computed crystal structures of nonpolar molecules depend on the electrostatic interactions? The case of tetracene

scientific article

Efficient calculation of high-order self-energy corrections to phonon linewidths: Application to alpha -nitrogen

scientific article published on 01 May 1993

First Principles Study of Alkali-Tyrosine Complexes: Alkali Solvation and Redox Properties

scientific article published in July 2008

High-pressure densification of silica glass: A molecular-dynamics simulation

scientific article published on 01 August 1996

High-pressure dissociation of crystalline para-diiodobenzene: optical experiments and Car-Parrinello calculations.

scientific article published in March 2005

Inherent structures of crystalline pentacene

Inherent structures of crystalline tetracene

article

Interaction of charge carriers with lattice and molecular phonons in crystalline pentacene ⬇️

scientific article published on August 28, 2011

Lattice dynamics and electron-phonon coupling in pentacene crystal structures

Lattice dynamics and electron-phonon coupling in theβ−(BEDT−TTF)2I3organic superconductor

scholarly article by Alberto Girlando et al published 1 December 2000 in Physical Review B

MD simulation of the Na+-phenylalanine complex in water: competition between cation-pi interaction and aqueous solvation

scientific article published on December 2005

Micro Raman Investigation of the Photodimerization Reaction of 9-Cyanoanthracene in the Solid State

Microstructural analysis of simulatedNi33Y67glass

scientific article published on 01 May 1994

Molecular dynamics simulations for a pentacene monolayer on amorphous silica.

scientific article published in August 2009

Molecular-dynamics simulation of glassyCu33Y67

article

Phase recognition by lattice phonon Raman spectra: The triclinic structure of the organic semiconductor dibenzo-tetrathiafulvalene

Phonon dynamics and electron–phonon coupling in pristine picene

article

Phonons and structures of tetracene polymorphs at low temperature and high pressure

scholarly article in Physical Review B, vol. 70 no. 10, September 2004

Polarized Raman Spectra of a Rubrene Single Crystal

Polymorphism and phonon dynamics of alpha-quaterthiophene.

scientific article published in March 2009

Polymorphs of α-sexithiophene probed by lattice phonon Raman microscopy

article published in 2006

Predicting the anchoring of liquid crystals at a solid surface: 5-cyanobiphenyl on cristobalite and glassy silica surfaces of increasing roughness

article

Pressure and temperature effects in lattice dynamics: the case of naphthalene

Probing pentacene polymorphs by lattice dynamics calculations

scientific article published in March 2002

Probing polymorphs of organic semiconductors by lattice phonon Raman microscopy

Simulated Raman spectra of four tetraphenylbutadiene polymorphs

Singlet exciton fission via an intermolecular charge transfer state in coevaporated pentacene-perfluoropentacene thin films

scientific article published on 01 October 2019

Stability under pressure of excimers of anthracene derivatives

Structure and Morphology of PDI8-CN2 for n-Type Thin-Film Transistors

article

Structure and dynamics of pentacene on SiO2: From monolayer to bulk structure

scholarly article in Physical Review B, vol. 85 no. 19, May 2012

The Chemistry of Ni-Sb Carbonyl Clusters - Synthesis and Characterization of the [Ni19Sb4(CO)26]4-Tetraanion and the Viologen Salts of [Ni13Sb2(CO)24]n-Carbonyl Clusters

The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene

The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrode

article

List of works by Raffaele Guido Della Valle

A dynamical model of excimer instability in molecular crystals

A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes.

A third blind test of crystal structure prediction.

Absorption, Photoluminescence, and Polarized Raman Spectra of a Fourfold Alkoxy-Substituted Phthalocyanine Liquid Crystal

Are crystal polymorphs predictable? The case of sexithiophene

Car-Parrinello MD simulations for the Na+ -phenylalanine complex in aqueous solution

Coupling between lattice and intramolecular modes in 9,10-dimethylanthracene: Raman spectra under pressure and quasi-harmonic lattice dynamics calculations

Crystal-to-crystal photoinduced reaction of dinitroanthracene to anthraquinone

DFT Investigation of Oligothiophenes on a Si(001) Surface

Do computed crystal structures of nonpolar molecules depend on the electrostatic interactions? The case of tetracene

Efficient calculation of high-order self-energy corrections to phonon linewidths: Application to alpha -nitrogen

First Principles Study of Alkali-Tyrosine Complexes: Alkali Solvation and Redox Properties

High-pressure densification of silica glass: A molecular-dynamics simulation

High-pressure dissociation of crystalline para-diiodobenzene: optical experiments and Car-Parrinello calculations.

Inherent structures of crystalline pentacene

Inherent structures of crystalline tetracene

Interaction of charge carriers with lattice and molecular phonons in crystalline pentacene ⬇️

Lattice dynamics and electron-phonon coupling in pentacene crystal structures

Lattice dynamics and electron-phonon coupling in theβ−(BEDT−TTF)2I3organic superconductor

MD simulation of the Na+-phenylalanine complex in water: competition between cation-pi interaction and aqueous solvation

Micro Raman Investigation of the Photodimerization Reaction of 9-Cyanoanthracene in the Solid State

Microstructural analysis of simulatedNi33Y67glass

Molecular dynamics simulations for a pentacene monolayer on amorphous silica.

Molecular-dynamics simulation of glassyCu33Y67

Phase recognition by lattice phonon Raman spectra: The triclinic structure of the organic semiconductor dibenzo-tetrathiafulvalene

Phonon dynamics and electron–phonon coupling in pristine picene

Phonons and structures of tetracene polymorphs at low temperature and high pressure

Polarized Raman Spectra of a Rubrene Single Crystal

Polymorphism and phonon dynamics of alpha-quaterthiophene.

Polymorphs of α-sexithiophene probed by lattice phonon Raman microscopy

Predicting the anchoring of liquid crystals at a solid surface: 5-cyanobiphenyl on cristobalite and glassy silica surfaces of increasing roughness

Pressure and temperature effects in lattice dynamics: the case of naphthalene

Probing pentacene polymorphs by lattice dynamics calculations

Probing polymorphs of organic semiconductors by lattice phonon Raman microscopy

Simulated Raman spectra of four tetraphenylbutadiene polymorphs

Singlet exciton fission via an intermolecular charge transfer state in coevaporated pentacene-perfluoropentacene thin films

Stability under pressure of excimers of anthracene derivatives

Structure and Morphology of PDI8-CN2 for n-Type Thin-Film Transistors

Structure and dynamics of pentacene on SiO2: From monolayer to bulk structure

The Chemistry of Ni-Sb Carbonyl Clusters - Synthesis and Characterization of the [Ni19Sb4(CO)26]4-Tetraanion and the Viologen Salts of [Ni13Sb2(CO)24]n-Carbonyl Clusters

The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene

The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrode

Transient behaviour of coherent and incoherent processes in a three-level system