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	Pour les 188 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 4 5 6 7 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Determination theorique du spectre de vibration moleculaire du formiate de methyle a partir de la methode PCILO E.B. Marmar , Claude Pouchan , Alain Dargelos , M. Chaillet Journal of Molecular Structure, 1979, 57 (C), pp.189-200. ⟨10.1016/0022-2860(79)80245-8⟩ Article dans une revue istex hal-01598814v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New results on methylalkali systems: Accurate vibrational study of methylsodium N. Gohaud , Didier Bégué , Claude Pouchan Chemical Physics Letters, 2006, 420 (4-6), pp.453-458. ⟨10.1016/j.cplett.2006.01.018⟩ Article dans une revue istex hal-01598729v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Time-dependent gauge-invariant approach to the calculation of dynamic hyperpolarizabilities: Application to FH and LiH Michel Rérat , M. Mérawa , Claude Pouchan Physical Review A, 1992, 46 (9), pp.5471-5477. ⟨10.1103/PhysRevA.46.5471⟩ Article dans une revue hal-01598787v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Conformational study of α,2-dimethylstyrene: Raman and FT-IR spectra and ab initio calculations P.J.A. Ribeiro-Claro , J.J.C. Teixeira-Dias , C. Delmas , Claude Pouchan Vibrational Spectroscopy, 2000, 24 (1), pp.29-36. ⟨10.1016/S0924-2031(00)00077-1⟩ Article dans une revue istex hal-01598765v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: An ab initio molecular dynamics study Philippe Carbonnière , Claude Pouchan , R. Improta Physical Chemistry Chemical Physics, 2015, 17 (17), pp.11615-11626. ⟨10.1039/c4cp05265j⟩ Article dans une revue hal-01598670v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical strategy to build structural models of microhydrated inorganic systems for the knowledge of their vibrational properties: The case of the hydrated nitrate aerosols Philippe Carbonnière , S. Thicoipe , Claude Pouchan Journal of Physical Chemistry A, 2013, 117 (18), pp.3826-3834. ⟨10.1021/jp309785q⟩ Article dans une revue hal-01598681v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Fullerene-C 60 in contact with alkali metal clusters: Prototype nano-objects of enhanced first hyperpolarizabilities Panaghiotis Karamanis , Claude Pouchan Journal of Physical Chemistry C, 2012, 116 (21), pp.11808-11819. ⟨10.1021/jp3026573⟩ Article dans une revue hal-01598685v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Frequency-dependent dipole and quadrupole polarizabilities for the ground 2P0 state of boron Claude Pouchan , Michel Rérat , G. Maroulis Journal of Physics B: Atomic, Molecular and Optical Physics, 1997, 30 (2), pp.167-176. ⟨10.1088/0953-4075/30/2/012⟩ Article dans une revue istex hal-01598771v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		DFT quartic force field of acetonitrile by using a generalized least-squares procedure Philippe Carbonnière , Didier Bégué , Claude Pouchan Chemical Physics Letters, 2004, 393 (1-3), pp.92-97. ⟨10.1016/j.cplett.2004.05.109⟩ Article dans une revue istex hal-01598748v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New theoretical and experimental infrared results on formaldehyde in solution Didier Bégué , S. Elissalde , Eve Péré , Pierre Iratcabal , Claude Pouchan Journal of Physical Chemistry A, 2006, 110 (25), pp.7793-7800. ⟨10.1021/jp061572u⟩ Article dans une revue istex hal-01581874v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Vibrational analysis from Quantum Mechanic molecular dynamics trajectories Philippe Carbonnière , Alain Dargelos , Claude Pouchan Computational Methods in Science and Engineering:, 2007, Unknown, Unknown Region. pp.329-336, ⟨10.1063/1.2827016⟩ Communication dans un congrès hal-01598728v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ab initio CI study of the reaction between NH2 and NO H. Abou-Rachid , Claude Pouchan , M. Chaillet Chemical Physics, 1984, 90 (3-4), pp.243-255. ⟨10.1016/0301-0104(84)85323-9⟩ Article dans une revue istex hal-01598806v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Time-independent and time-dependent methods for the calculation of the vibrational spectra: H2CN as example Philippe Carbonnière , Claude Pouchan International Journal of Quantum Chemistry, 2010, 110 (3), pp.578-585. ⟨10.1002/qua.22107⟩ Article dans une revue istex hal-01598699v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ab initio calculation of static and dynamic polarizabilities and hyperpolarizabilities of CO+ in its ground electronic state (X2Σ+) [POLARISABILITIES ET HYPERPOLARISABILITES STATIQUES ET DYNAMIQUES DE CO+ DANS SON ETAT FONDAMENTAL (X2Σ+) A PARTIR D'UN CALCUL AB-INITIO IC] Didier Bégué , M. Mérawa , Michel Rérat , Claude Pouchan Journal de Chimie Physique et de Physico-Chimie Biologique, 1997, 94 (9), pp.1553-1567 Article dans une revue hal-01598773v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		DFT modelling of the infrared spectra for the isolated and the micro-hydrated forms of uracil Claude Pouchan , Sandrine Thicoipe , Marco de La Pierre Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2019, 138 (3), ⟨10.1007/s00214-019-2431-4⟩ Article dans une revue hal-02094782v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Establishing the pivotal role of local aromaticity in the electronic properties of boron-nitride graphene lateral hybrids Nicolas Otero , K.E. El-Kelany , Claude Pouchan , Michel Rérat , Panaghiotis Karamanis Physical Chemistry Chemical Physics, 2016, 18 (36), pp.25315--25328. ⟨10.1039/c6cp04502b⟩ Article dans une revue hal-01500049v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The quadrupole moments of Li2, Li2+ and Li3+ D.M. Bishop , Claude Pouchan Chemical Physics Letters, 1983, 102 (2-3), pp.132-134. ⟨10.1016/0009-2614(83)87378-3⟩ Article dans une revue istex hal-01598809v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic structure and optical properties of poly[3-(4-octylphenoxy) thiophene]: experimental and theoretical studies F. Ouhib , A. Dkhissi , Pierre Iratcabal , Roger C. Hiorns , Abdel Khoukh , et al. Journal of Polymer Science Part A: Polymer Chemistry, 2008, 46 (22), pp.7505-7516. ⟨10.1002/pola.23056⟩ Article dans une revue istex hal-01559900v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Least-squares fitting approach using energy, gradient and Hessian data to obtain an accurate quartic force field : Application to H2O and H2CO Philippe Carbonnière , Didier Bégué , Alain Dargelos , Claude Pouchan 2003 Pré-publication, Document de travail hal-00128312v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dynamic scalar and tensor polarizabilities of the 2 1P and 2 3P states of He Michel Rérat , Claude Pouchan Physical Review A, 1994, 49 (2), pp.829-832. ⟨10.1103/PhysRevA.49.829⟩ Article dans une revue hal-01598783v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		CCSD(T) determination of the vibrational structure in the Ã2Σ+ ← X̃2Π spectrum of CCO Didier Bégué , Philippe Carbonnière , Claude Pouchan Journal of Physical Chemistry A, 2001, 105 (50), pp.11379-11382 Article dans une revue hal-01598764v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		An adaptive potential energy surface generation method using curvilinear valence coordinates Falk Richter , Philippe Carbonnière , Alain Dargelos , Claude Pouchan Journal of Chemical Physics, 2012, 136 (22), ⟨10.1063/1.4724305⟩ Article dans une revue hal-01598688v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Evolution of properties in prolate (GaAs) n clusters Panaghiotis Karamanis , Claude Pouchan , C.A. Weatherford , G.L. Gutsev Journal of Physical Chemistry C, 2011, 115 (1), pp.97-107. ⟨10.1021/jp107720m⟩ Article dans une revue hal-01598695v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Role of nonlocal exchange in molecular crystals: The case of two proton-ordered phases of ice Frédéric Labat , Claude Pouchan , C. Adamo , G.E. Scuseria Journal of Computational Chemistry, 2011, 32 (10), pp.2177-2185. ⟨10.1002/jcc.21801⟩ Article dans une revue istex hal-01598697v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dynamic dipole and quadrupole polarizabilities for the ground 2 1S and the low-lying 3 1S and 3 3S states of Be Didier Bégué , M. Mérawa , Claude Pouchan Physical Review A, 1998, 57 (4), pp.2470-2476 Article dans une revue hal-01598768v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Étude expérimentale et théorique des intensités ir de l'isoxazole Claude Pouchan , Alain Dargelos , M. Chaillet , G. Ford , A.R. Katritzky Journal of Molecular Structure, 1976, 33 (1), pp.39-44. ⟨10.1016/0022-2860(76)80142-1⟩ Article dans une revue istex hal-01598817v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dynamic dipole polarizabilities and C6 dispersion coefficients for small clusters of beryllium Ben (n=2,3,4) Didier Bégué , M. Mérawa , Michel Rérat , Claude Pouchan Chemical Physics Letters, 1999, 301 (1-2), pp.43-52 Article dans une revue hal-01598767v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dynamic polarizabilities and van der Waals coefficients of the 2 1S and 2 3S metastable states of helium Michel Rérat , M. Caffarel , Claude Pouchan Physical Review A, 1993, 48 (1), pp.161-165. ⟨10.1103/PhysRevA.48.161⟩ Article dans une revue hal-01598784v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Computational Study of the Interaction and Polarization Effects of Complexes Involving Molecular Graphene and C _\textrm60 or a Nucleobases Aggelos Avramopoulos , Nicolas Otero , Panaghiotis Karamanis , Claude Pouchan , Manthos G. Papadopoulos Journal of Physical Chemistry A, 2016, 120 (2), pp.284--298. ⟨10.1021/acs.jpca.5b09813⟩ Article dans une revue hal-01494462v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Second-hyperpolarizability (γ) enhancement in metal-decorated zigzag graphene flakes and ribbons: The size effect Panaghiotis Karamanis , Claude Pouchan Journal of Physical Chemistry C, 2013, 117 (6), pp.3134-3140. ⟨10.1021/jp3114682⟩ Article dans une revue hal-01598677v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Determination theorique du spectre de vibration moleculaire du formiate de methyle a partir de la methode PCILO

New results on methylalkali systems: Accurate vibrational study of methylsodium

Time-dependent gauge-invariant approach to the calculation of dynamic hyperpolarizabilities: Application to FH and LiH

Conformational study of α,2-dimethylstyrene: Raman and FT-IR spectra and ab initio calculations

Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: An ab initio molecular dynamics study

Theoretical strategy to build structural models of microhydrated inorganic systems for the knowledge of their vibrational properties: The case of the hydrated nitrate aerosols

Fullerene-C 60 in contact with alkali metal clusters: Prototype nano-objects of enhanced first hyperpolarizabilities

Frequency-dependent dipole and quadrupole polarizabilities for the ground 2P0 state of boron

DFT quartic force field of acetonitrile by using a generalized least-squares procedure

New theoretical and experimental infrared results on formaldehyde in solution

Vibrational analysis from Quantum Mechanic molecular dynamics trajectories

Ab initio CI study of the reaction between NH2 and NO

Time-independent and time-dependent methods for the calculation of the vibrational spectra: H2CN as example

Ab initio calculation of static and dynamic polarizabilities and hyperpolarizabilities of CO+ in its ground electronic state (X2Σ+) [POLARISABILITIES ET HYPERPOLARISABILITES STATIQUES ET DYNAMIQUES DE CO+ DANS SON ETAT FONDAMENTAL (X2Σ+) A PARTIR D'UN CALCUL AB-INITIO IC]

DFT modelling of the infrared spectra for the isolated and the micro-hydrated forms of uracil

Establishing the pivotal role of local aromaticity in the electronic properties of boron-nitride graphene lateral hybrids

The quadrupole moments of Li2, Li2+ and Li3+

Electronic structure and optical properties of poly[3-(4-octylphenoxy) thiophene]: experimental and theoretical studies

Least-squares fitting approach using energy, gradient and Hessian data to obtain an accurate quartic force field : Application to H2O and H2CO

Dynamic scalar and tensor polarizabilities of the 2 1P and 2 3P states of He

CCSD(T) determination of the vibrational structure in the Ã2Σ+ ← X̃2Π spectrum of CCO

An adaptive potential energy surface generation method using curvilinear valence coordinates

Evolution of properties in prolate (GaAs) n clusters

Role of nonlocal exchange in molecular crystals: The case of two proton-ordered phases of ice

Dynamic dipole and quadrupole polarizabilities for the ground 2 1S and the low-lying 3 1S and 3 3S states of Be

Étude expérimentale et théorique des intensités ir de l'isoxazole

Dynamic dipole polarizabilities and C6 dispersion coefficients for small clusters of beryllium Ben (n=2,3,4)

Dynamic polarizabilities and van der Waals coefficients of the 2 1S and 2 3S metastable states of helium

A Computational Study of the Interaction and Polarization Effects of Complexes Involving Molecular Graphene and C _\textrm60 or a Nucleobases

Second-hyperpolarizability (γ) enhancement in metal-decorated zigzag graphene flakes and ribbons: The size effect