M. Malagoli

Parallel Quantum Solutions (United States) — United States

Physics and Astronomy · Physical Sciences

20h-index2.4kcitations46works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(16), Photochemistry and Electron Transfer Studies(12), Spectroscopy and Quantum Chemical Studies(11), Molecular Junctions and Nanostructures(9), Nonlinear Optical Materials Research(9)

Publications46 total

A multimode analysis of the gas-phase photoelectron spectra in oligoacenes
The Journal of Chemical Physics·2004· 172 citedOpen Access
2,7‐Bis(diarylamino)‐9,9‐dimethylfluorenes as Hole‐Transport Materials for Organic Light‐Emitting Diodes
Advanced Functional Materials·2003· 81 cited
The role of vibronic interactions on intramolecular and intermolecular electron transfer in ?-conjugated oligomers
Theoretical Chemistry Accounts·2003· 77 cited
Hole- and Electron-Vibrational Couplings in Oligoacene Crystals: Intramolecular Contributions
Physical Review Letters·2002· 397 cited
Highly parallel SCF calculation: the SYSMO Program
2002· 1 cited
Charge-Transfer Transitions in Triarylamine Mixed-Valence Systems:  A Joint Density Functional Theory and Vibronic Coupling Study
Journal of the American Chemical Society·2002· 110 cited
Impact of conformation on the dipole moment of bis-triarylamine derivatives
Chemical Physics Letters·2002· 32 cited
Spectroscopic characterization (DRIFT and SERS) of different nominal molecular weight humic acid fractions.
2002
Intervalence transition in triarylamine mixed-valence systems: A time-dependent density functional theory study
The Journal of Chemical Physics·2001· 41 cited
Joint Experimental and Theoretical Characterization of the Electronic Structure of 4,4‘-Bis(<i>N</i>-m-tolyl-<i>N</i>-phenylamino)biphenyl (TPD) and Substituted Derivatives
The Journal of Physical Chemistry A·2001· 51 cited
Density functional theory study of the geometric structure and energetics of triphenylamine-based hole-transporting molecules
Chemical Physics Letters·2000· 468 cited
Microscopic calculation of surface linear optical response in crystals of <i>para</i>-nitroaniline
The Journal of Chemical Physics·2000· 3 cited
Microscopic calculation of surface-induced second-harmonic generation in crystals of <i>para</i>-nitroaniline
The Journal of Chemical Physics·2000· 7 cited
Environmental effects on molecular response in materials for non-linear optics
Synthetic Metals·2000· 20 cited
Almost temperature independent charge carrier mobilities in liquid crystals
The Journal of Chemical Physics·2000· 62 cited
Microscopic calculation of the third-order nonlinear optical susceptibility of DEANST crystal
The Journal of Chemical Physics·1997· 20 cited
Highly polar chromophores in poled polymer films characterised by second harmonic generation
Chemical Physics Letters·1997· 8 cited
Coupled Hartree-Fock Approach to Electric Hyperpolarizability Tensors in Benzene
Topics in molecular organization and engineering·1996Open Access
Conditions for invariance of molecular magnetic properties in Landau gauge transformations
The Journal of Chemical Physics·1995· 9 cited
Molecular magnetic properties within continuous transformations of origin of the current density
The Journal of Chemical Physics·1995· 138 cited
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Frequent Co-authors

Paolo Lazzeretti(28), Riccardo Zanasi(27), Jean‐Luc Brédas(8), Marta B. Ferraro(7), Veaceslav Coropceanu(5), R. W. Munn(4), T. Prosperi(3), T. E. Herr(3), M. C. Caputo(3), Demétrio A. da Silva Filho(2), Nadine E. Gruhn(2), J. L. Brédas(2), Patrick W. Fowler(2), J. M. André(2), Stephen Barlow(2), Bernard Kippelen(2), Seth R. Marder(2), Philip W. Fowler(2), Francesco Faglioni(2), L. Turci(2)