A. D. Esposti

发表

Optical properties and the photoluminescence quantum yield of organic molecular materials

R. Zamboni, M. Murgia, M. Muccini, 2000 .

Analytical energy gradients for multiconfiguration self-consistent field wave functions with frozen core orbitals

H. Werner, A. D. Esposti, T. Busch, 1991 .

The anharmonic potential function of methylene fluoride. SCF ab initio computations of the cubic force field and analysis of vibration-rotation interaction constants

N. Handy, P. Palmieri, A. D. Esposti, 1988 .

Quantum scattering study of rotational energy transfer in OH(A 2Σ+, v’=0) in collisions with He(1S)

H. Werner, A. Jörg, A. D. Esposti, 1990 .

The dynamics of the internal phonons tris(quinolin-8-olato) aluminum(III) in crystalline β-phase

M. Brinkmann, G. Ruani, A. D. Esposti, 2002 .

Inelastic neutron scattering of large molecular systems: The case of the original benzylic amide [2]catenane

M. Deleuze, R. Caciuffo, S. Parker, 1998 .

Calculations on vibrational predissociation of Ar-OH (A 2Σ+)

C. Chakravarty, D. Clary, H. Werner, 1991 .

Theoretical Studies of Collision-induced Energy Transfer in Electronically Excited States

A. Kliesch, H. Werner, M. Alexander, 1990 .

Calculation of the electronic spectrum for Ar–OH

C. Chakravarty, D. Clary, H. Werner, 1990 .

Electron and hole transport in an anthracene-based conjugated polymer

N. Camaioni, D. Egbe, F. Tinti, 2012 .

The intramolecular vibrational dynamics of mer-tris(8-hydroxyquinoline)aluminium(III)

R. Zamboni, M. Brinkmann, G. Ruani, 2002 .

Photophysical characterization of free-base corroles, promising chromophores for light energy conversion and singlet oxygen generation

D. Gryko, B. Ventura, L. Flamigni, 2005 .

The polarized infrared and Raman spectra of α-T6 single crystal: An experimental and theoretical study

M. Muccini, G. Ruani, C. Taliani, 2000 .

The conformation of ethyleneurea from microwave spectroscopy and ab initio computations

D. G. Lister, D. Lister, R. Cervellati, 1988 .

A circular dichroism and structural study of the inclusion complex artemisinin-β-cyclodextrin

G. Marconi, S. Monti, A. D. Esposti, 2004 .

Conformation and ring inversion in γ-butyrolacetone. Part 2.—Ab initio and flexible model computations

D. G. Lister, J. López, J. Alonso, 1990 .

Quantum scattering studies of the Λ doublet resolved rotational energy transfer of OH(X 2Π) in collisions with He and Ar

H. Werner, A. D. Esposti, A. Berning, 1995 .

The origin of the difference in the barriers to inversion in aniline and N-methylaniline

D. G. Lister, D. Lister, R. Cervellati, 1985 .

Organometallic quinonoid linkers: a versatile tether for the design of panchromatic ruthenium(II) heteroleptic complexes.

A. Barbieri, Lise‐Marie Chamoreau, Aurélie Damas, 2010, Inorganic chemistry.

The electronic properties of a homoleptic bisphosphine Cu(I) complex: a joint theoretical and experimental insight

A. Kaeser, N. Armaroli, J. Nierengarten, 2010 .

Microwave spectra and ring-puckering vibration in dihydrothiophenes

D. G. Lister, J. Alonso, D. Lister, 1986 .

A correlation between electrochemical properties and geometrical structure of some triarylamines used as hole transporting materials in organic electroluminescent devicesElectronic supplementary information (ESI) available: Optimised Cartesian coordinates calculated using AM1 of: 1. TPA 2. TTA 3. TP

G. Casalbore-Miceli, G. Marconi, V. Fattori, 2004 .

Carbazole-terpyridine donor–acceptor luminophores

D. Tonelli, F. Monti, N. Armaroli, 2013 .

A Density Functional Study of the Vibrations of Three Oligomers of Thiophene

F. Zerbetto, A. D. Esposti, 1997 .

Calculation of refractive indices and local electric field tensors in α-sexithiophene crystal

M. Andrzejak, P. Petelenz, C. Taliani, 2001 .

Experimental and theoretical Raman investigation on interactions of Cu(II) with histamine

G. Marconi, A. Torreggiani, A. D. Esposti, 2006 .

Microwave spectrum and ab initio computations for ethylene carbonate. Part 2.—Electric dipole moment

J. Alonso, D. Lister, R. Cervellati, 1986 .

Ab initio calculation of the OH (X 2Π, A 2Σ+)+Ar potential energy surfaces and quantum scattering studies of rotational energy transfer in the OH (A 2Σ+) state

Hans-Joachim Werner, H. Werner, A. D. Esposti, 1990 .

Abinitio computations of the α vibration–rotation constants for H2O+

D. G. Lister, D. Lister, C. D. Esposti, 1987 .

14N and35Cl nuclear quadrupole coupling constants in thiazyl chloride from microwave spectroscopy andab initio molecular orbital computations

D. Lister, R. Cervellati, F. Ortolani, 1984 .

Spontaneous dissociation of a conjugated molecule on the Si(100) surface

M. Brandbyge, K. Stokbro, F. Biscarini, 2002 .

Conformation and ring inversion in γ-butyrolactone. Part 1.—Microwave spectrum

D. G. Lister, J. López, J. Alonso, 1990 .

Conformation and Ring Inversion in γ-Butyrolactone. Part 1. Microwave Spectrum

D. G. Lister, J. Alonso, R. Cervellati, 1990 .

Microwave spectrum and ab initio computations for ethylene carbonate. Part 1.—Conformation and ring inversion

D. G. Lister, J. Alonso, R. Cervellati, 1986 .

A two-dimensional ring puckering potential energy surface for ethylene carbonate from ab initio and flexible model computations

D. G. Lister, P. Palmieri, A. D. Esposti, 1990 .

Centrifugal distortion and the ring puckering vibration in the microwave spectrum of 2,3-dihydrofuran

D. G. Lister, J. Alonso, R. Cervellati, 1986 .

The intramolecular vibrations of prototypical polythiophenes

O. Moze, R. Zamboni, J. Tomkinson, 1996 .

1,10-Phenanthrolines with tunable luminescence upon protonation: a spectroscopic and computational study.

R. S. Kishore, A. Listorti, N. Armaroli, 2007, The journal of physical chemistry. A.