Search Results - "Deleuze, M"
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The SuperCam Instrument Suite on the Mars 2020 Rover: Science Objectives and Mast-Unit Description
Published in Space science reviews (01-04-2021)“…On the NASA 2020 rover mission to Jezero crater, the remote determination of the texture, mineralogy and chemistry of rocks is essential to quickly and…”
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2
Quantum Chemical Study of Conformational Fingerprints in the Photoelectron Spectra and (e, 2e) Electron Momentum Distributions of n-Hexane
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01-04-2010)“…The main purpose of the present work is to simulate from many-body quantum mechanical calculations the results of experimental studies of the valence…”
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3
Imaging Momentum Orbital Densities of Conformationally Versatile Molecules: A Benchmark Theoretical Study of the Molecular and Electronic Structures of Dimethoxymethane
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05-07-2007)“…The main purpose of the present work is to predict from benchmark many-body quantum mechanical calculations the results of experimental studies of the valence…”
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4
Investigation into the Valence Electronic Structure of Norbornene Using Electron Momentum Spectroscopy, Green's Function, and Density Functional Theories
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20-10-2005)“…Results of a study of the valence electronic structure of norbornene (C7H10), up to binding energies of 30 eV, are reported. Experimental electron momentum…”
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5
Study of the Valence Wave Function of Thiophene with High Resolution Electron Momentum Spectroscopy and Advanced Dyson Orbital Theories
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20-03-2008)“…Results of an exhaustive experimental study of the valence electronic structure of thiophene using high resolution electron momentum spectroscopy at impact…”
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6
Probing Molecular Conformations with Electron Momentum Spectroscopy: The Case of n-Butane
Published in Journal of the American Chemical Society (02-05-2001)“…High-resolution (e,2e) measurements of the valence electronic structure and momentum-space electron density distributions of n-butane have been exhaustively…”
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7
Theoretical Study of the Conversion of Sulfonyl Precursors into Chains of Poly(p-phenylene vinylene)
Published in Journal of the American Chemical Society (11-06-2003)“…The elimination and side reactions involved in the thermal conversion of sulfonyl precursor chains into poly(p-phenylene vinylene) (PPV) have been studied in…”
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8
Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds
Published in Journal of computational chemistry (15-11-2006)“…The valence one‐electron and shake‐up ionization spectra of stella‐2,6‐diene, stella‐2,6‐dione, bicyclo‐[2.2.2]‐octane‐2,5‐dione, and…”
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9
The Band 12 Issue in the Electron Momentum Spectra of Norbornane: A Comparison with Additional Green's Function Calculations and Ultraviolet Photoemission Measurements
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19-05-2005)“…In continuation of a recent study of the electronic structure of norbornane [J. Chem. Phys., 2004, 121, 10525] by means of electron momentum spectroscopy…”
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10
Comparison of Geant4-DNA simulation of S-values with other Monte Carlo codes
Published in Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms (01-01-2014)“…Monte Carlo simulations of S-values have been carried out with the Geant4-DNA extension of the Geant4 toolkit. The S-values have been simulated for…”
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11
Effect of Thermal Motions on the Structure and UV−Visible Electronic Spectra of Stilbene and Model Oligomers of Poly(p-Phenylene Vinylene)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03-07-2003)“…In the present study, we investigate the influence of temperature on the width and location of bands in the UV−visible absorption spectra of oligomer chains of…”
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12
Tuning the Charge Carriers Migration in Epitaxial BaTiO3 Thin-Film Photoanodes
Published in Journal of physical chemistry. C (14-05-2020)“…We studied the growth of epitaxial ferroelectric layers of BaTiO3/Pt(001) in the framework of solar water splitting. The stoichiometry, that is, the Ti/Ba…”
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13
Correlation effects in the valence ionization spectra of large conjugated molecules: p-Benzoquinone, anthracenequinone and pentacenequinone
Published in Journal of electron spectroscopy and related phenomena (01-05-2010)“…A review of an extensive series of theoretical studies of the valence one-electron and shake-up ionization spectra of polycyclic aromatic hydrocarbons is…”
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14
Valence One-Electron and Shake-Up Ionization Bands of Carbon Clusters. III. The C n (n = 5,7,9,11) Rings
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13-06-2002)“…The 1h (one-hole) and 2h-1p (two-hole; one-particle) shake-up bands in the valence ionization spectrum of odd-membered carbon rings (C5, C7, C9, C11) are…”
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15
Structural, Rotational, Vibrational, and Electronic Properties of Ionized Carbon Clusters C n + (n = 4−19)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01-07-1999)“…The structures, rotational moments, vibrational normal modes, and infrared spectra of small to medium-size ionized carbon clusters C n + (n = 4−19) are…”
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16
Theoretical study of the internal elimination reactions of xanthate precursors
Published in Journal of computational chemistry (01-12-2003)“…The gas‐phase internal elimination (Ei) reaction of ethyl xanthate (CH3‐CH2‐S‐CS‐O‐CH3) has been investigated by means of Hartree–Fock, second‐order…”
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17
Structural, Rotational, Vibrational, and Electronic Properties of Carbon Cluster Anions C n - (n = 3−13)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19-09-2002)“…The structural, rotational, and vibrational properties of C n - clusters (n = 3−13) have been investigated by means of density functional theory (DFT/B3LYP)…”
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18
Outer-Valence Green's Function Study of Cycloalkane and Cycloalkyl−Alkane Compounds
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12-07-2001)“…In this contribution, we report a quantitative analysis of gas-phase ultraviolet photoelectron spectra (HeI) of model compounds such as cyclopentane,…”
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19
Probing Dyson orbitals with Green’s Function theory and Electron Momentum Spectroscopy
Published in Chemical physics letters (03-04-2006)“…Results of an experimental study of the valence electronic structure of difluoromethane employing high-resolution Electron Momentum Spectroscopy with various…”
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20
Molecular packing of oligomer chains of poly( p-phenylene vinylene)
Published in Chemical physics letters (11-05-2001)“…The intermolecular forces pertaining to the nucleation mechanism and the solid-state architecture of an eight-ring model oligomer of poly( p-phenylene…”
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