Jean-Pierre Daudey, Ph.D. - Publications

Affiliations: 
Université Toulouse III - Paul Sabatier, Toulouse, Occitanie, France 
Area:
Theoretical Chemistry
Website:
http://link.springer.com/content/pdf/10.1007%2Fs00214-009-0718-6.pdf#page-1

103 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2006 Ramírez-Solís A, Poteau R, Daudey JP. The electronic spectrum of AgCl2: ab initio benchmark versus density-functional theory calculations on the lowest ligand-field states including spin-orbit effects. The Journal of Chemical Physics. 124: 034307. PMID 16438583 DOI: 10.1063/1.2145879  0.36
2006 Raynaud C, Maron L, Daudey JP, Jolibois F. Berry pseudorotation mechanism for the interpretation of the 19F NMR spectrum in PF5 by ab initio molecular dynamics simulations. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 407-13. PMID 16404755 DOI: 10.1002/Cphc.200500297  0.36
2006 Raynaud C, Daudey JP, Jolibois F, Maron L. Ab initio dynamic study of the reaction of Cl2LaR (R=H, CH3) with H2. The Journal of Physical Chemistry. A. 110: 101-5. PMID 16392845 DOI: 10.1021/Jp050771V  0.36
2005 Raynaud C, Daudey JP, Maron L, Jolibois F. 1,4- vs 1,3-prototropic mechanism for intramolecular double proton transfer reaction in monothiooxalic acid. Theoretical investigation of potential energy surface. The Journal of Physical Chemistry. A. 109: 9646-52. PMID 16866418 DOI: 10.1021/Jp052782U  0.36
2005 Gutierrez F, Rabbe C, Poteau R, Daudey JP. Theoretical study of Ln(III) complexes with polyaza-aromatic ligands: geometries of [LnL(H2O)n]3+ complexes and successes and failures of TD-DFT. The Journal of Physical Chemistry. A. 109: 4325-30. PMID 16833762 DOI: 10.1021/jp044786p  0.36
2005 Caffarel M, Daudey JP, Heully JL, Ramírez-Solís A. Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: spectroscopy of the copper atom. The Journal of Chemical Physics. 123: 94102. PMID 16164336 DOI: 10.1063/1.2011393  0.36
2005 Ramírez-Solís A, Poteau R, Vela A, Daudey JP. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches. The Journal of Chemical Physics. 122: 164306. PMID 15945683 DOI: 10.1063/1.1883167  0.36
2005 Ramírez-Solís A, Daudey JP. Ab initio study on the spectroscopy of CuCl2. II. Benchmark calculations on the X2Pi g-C2Deltag and X2Pi g-D2Deltag transitions. The Journal of Chemical Physics. 122: 14315. PMID 15638667 DOI: 10.1063/1.1829052  0.36
2005 Gutierrez F, Tedeschi C, Maron L, Daudey JP, Azema J, Tisnès P, Picard C, Poteau R. Quantum chemistry-based interpretations on the lowest triplet state of luminescent lanthanides complexes. Part 2. Influence of the electrostatic interactions on the triplet state energy of terbium complexes Journal of Molecular Structure: Theochem. 756: 151-162. DOI: 10.1016/J.Theochem.2005.09.004  0.36
2005 Raynaud C, Maron L, Jolibois F, Daudey JP, Esteves PM, Ramírez-Solís A. Ab initio molecular dynamics: Plane waves vs. local basis: The role of energy cutoff on the convergence of molecular properties Chemical Physics Letters. 414: 161-165. DOI: 10.1016/J.Cplett.2005.08.034  0.36
2004 Ramirez-Solis A, Daudey JP. Ab initio study on the spectroscopy of CuCl2. I. Benchmark calculations on the X2Pig - 2Sigmag+ transition. The Journal of Chemical Physics. 120: 3221-8. PMID 15268475 DOI: 10.1063/1.1640992  0.36
2004 Gutierrez F, Tedeschi C, Maron L, Daudey JP, Poteau R, Azema J, Tisnès P, Picard C. Quantum chemistry-based interpretations on the lowest triplet state of luminescent lanthanides complexes. Part 1. Relation between the triplet state energy of hydroxamate complexes and their luminescence properties. Dalton Transactions (Cambridge, England : 2003). 1334-47. PMID 15252626 DOI: 10.1039/B316246J  0.36
2004 Carissan Y, Heully JL, Alary F, Daudey JP. Calculation of the ground and excited states of a mixed valence compound [Fe2(OH)3(NH3)6]2+: a class II or class III compound? Inorganic Chemistry. 43: 1411-20. PMID 14966977 DOI: 10.1021/ic034716h  0.36
2004 Raynaud C, Maron L, Daudey JP, Jolibois F. Reconsidering Car-Parrinello molecular dynamics using direct propagation of molecular orbitals developed upon Gaussian type atomic orbitals Physical Chemistry Chemical Physics. 6: 4226-4232. DOI: 10.1039/B402163K  0.36
2003 Alary F, Heully JL, Poteau R, Maron L, Trinquier G, Daudey JP. Using effective group potential methodology for predicting organometallic complex properties. Journal of the American Chemical Society. 125: 11051-61. PMID 12952487 DOI: 10.1021/Ja034534M  0.36
2003 Bessac F, Alary F, Poteau R, Heully JL, Daudey JP. Modeling a Carbonyl Group Taking into Account Back-Donation Effects through the Effective Group Potential Method Journal of Physical Chemistry A. 107: 9393-9402. DOI: 10.1021/jp035020c  0.36
2003 Bessac F, Alary F, Carissan Y, Heully JL, Daudey JP, Poteau R. Effective group potentials: A powerful tool for hybrid QM/MM methods? Journal of Molecular Structure: Theochem. 632: 43-59. DOI: 10.1016/S0166-1280(03)00287-2  0.36
2001 Ramírez-Solís A, Vallet V, Teichteil C, Leininger T, Daudey JP. Accurate ab initio study on the spectroscopy of Ag and Ag+ including spin-orbit couplings aimed at molecular calculations Journal of Chemical Physics. 115: 3201-3207. DOI: 10.1063/1.1386700  0.36
2001 Velardez GF, Ferrero JC, Beswick JA, Daudey JP. Ab initio study of the structures and π* ← n electronic transition in formic acid - (water)n (n = 3, 4, and 5) hydrogen bonded complexes Journal of Physical Chemistry A. 105: 8769-8774.  0.36
2001 Poteau R, Alary F, Makarim HA, Heully JL, Barthelat JC, Daudey JP. Effective group potentials. 2. Extraction and transferability for chemical groups involved in covalent or donor-acceptor bonds Journal of Physical Chemistry A. 105: 206-214.  0.36
2001 Poteau R, Ortega I, Alary F, Solis AR, Barthelat JC, Daudey JP. Effective group potentials. 1. Method Journal of Physical Chemistry A. 105: 198-205.  0.36
2000 Lhiaubet V, Gutierrez F, Penaud-Berruyer F, Amouyal E, Daudey JP, Poteau R, Chouini-Lalanne N, Paillous N. Spectroscopic and theoretical studies of the excited states of fenofibric acid and ketoprofen in relation with their photosensitizing properties New Journal of Chemistry. 24: 403-410. DOI: 10.1039/a909539j  0.36
2000 Ramírez-Solís A, Daudey JP. The spectroscopy of AgF: CASSCF+CASPT2 calculations on the lowest3∑+, 1∑+, 3∏, 1∏, and1Δ excited states Journal of Chemical Physics. 113: 8580-8588.  0.36
2000 Alary F, Poteau R, Heully JL, Barthelat JC, Daudey JP. A new method for modelling spectator chemical groups in ab initio calculations: Effective group potentials Theoretical Chemistry Accounts. 104: 174-178.  0.36
1999 Suaud N, Bolvin H, Daudey JP. Ab Initio Calculations of the Magnetic Coupling between a Ni(II) Ion and Two Nitroxide Radicals in cis and trans Positions. Inorganic Chemistry. 38: 6089-6095. PMID 11671317  0.36
1999 Velardez G, Heully JL, Beswick JA, Daudey JP. Ab initio study of the φ*←n electronic transition in formic acid-(water)n (n = 1, 2) hydrogen bonded complexes Physchemcomm. 2: 1DUMMY.  0.36
1999 Ismail N, Heully JL, Saue T, Daudey JP, Marsden CJ. Theoretical studies of the actinides: Method calibration for the UO2 2+ and PuO2 2+ ions Chemical Physics Letters. 300: 296-302.  0.36
1998 Periole X, Allouche D, Ramírez-Solís A, Ortega-Blake I, Daudey JP, Sanejouand YH. New effective potentials extraction method for the interaction between cations and water Journal of Physical Chemistry B. 102: 8579-8587.  0.36
1997 Periole X, Allouche D, Daudey JP, Sanejouand YH. Simple two-body cation-water interaction potentials derived from ab initio calculations. Comparison to results obtained with an empirical approach Journal of Physical Chemistry B. 101: 5018-5025.  0.36
1996 Klotz A, Marty P, Boissel P, De Caro D, Serra G, Mascetti J, De Parseval P, Derouault J, Daudey JP, Chaudret B. Possible contribution of organometallic species in the solar system ices. Reactivity and spectroscopy Planetary and Space Science. 44: 957-965. DOI: 10.1016/0032-0633(96)00026-8  0.36
1996 Romero T, De Andrés J, Albertí M, Lucas JM, Rubio J, Daudey JP, Aguilar A. Adiabatic and diabatic representations of potential energy curves for the (NaRb) + system Chemical Physics Letters. 261: 583-590.  0.36
1995 Sabo-Etienne S, Chaudret B, Abou El Makarim H, Barthelat JC, Daudey JP, Ulrich S, Limbach HH, Moïse C. Upon the chemical origin of exchange couplings in d2 systems Journal of the American Chemical Society. 117: 11602-11603.  0.36
1994 Malrieu JP, Daudey JP, Caballol R. Multireference self-consistent size-consistent singles and doubles configuration interaction for ground and excited states The Journal of Chemical Physics. 101: 8908-8921. DOI: 10.1063/1.468083  0.36
1994 Sabo-Etienne S, Chaudret B, Abou El Makarim H, Barthelat JC, Daudey JP, Moïse L, Leblanc JC. [Cp2Ta(η2-H2)(CO)]BF4: The first thermally stable group 5 dihydrogen complex Journal of the American Chemical Society. 116: 9335-9336. DOI: 10.1021/Ja00099A063  0.36
1994 Jamorski C, Dargelos A, Teichteil C, Daudey JP. Theoretical determination of spectral lines for the Zn atom and the ZnH molecule The Journal of Chemical Physics. 100: 917-925.  0.36
1993 Daudey JP, Heully JL, Malrieu JP. Size-consistent self-consistent truncated or selected configuration interaction The Journal of Chemical Physics. 99: 1240-1254. DOI: 10.1063/1.465368  0.36
1993 Jamorski C, Dargelos A, Teichteil C, Daudey JP. Theoretical investigations of the electronic spectra of ZnCH3. Analysis of spin-orbit coupling and Jahn-Teller effect Chemical Physics. 178: 39-46. DOI: 10.1016/0301-0104(93)85049-E  0.36
1993 Poteau R, Maynau D, Daudey JP, Spiegelmann F. Static, statistical, and dynamical properties of small sodium clusters Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 26: 232-235. DOI: 10.1007/BF01429154  0.36
1992 Boutalib A, Daudey JP, El Mouhtadi M. Theoretical study of the lowest electronic states of CaH and CaH+ molecules Chemical Physics. 167: 111-120. DOI: 10.1016/0301-0104(92)80026-R  0.36
1992 Boutalib A, Daudey JP. Theoretical study of the atomic spectra of the calcium atom Chemical Physics Letters. 192: 493-498. DOI: 10.1016/0009-2614(92)85504-4  0.36
1992 Miralles J, Daudey JP, Caballol R. Variational calculation of small energy differences. The singlet-triplet gap in [Cu2Cl6]2- Chemical Physics Letters. 198: 555-562. DOI: 10.1016/0009-2614(92)85030-E  0.36
1992 Foucrault M, Millie P, Daudey JP. Nonperturbative method for core-valence correlation in pseudopotential calculations: Application to the Rb2 and Cs2 molecules The Journal of Chemical Physics. 96: 1257-1264.  0.36
1992 Delaval JM, Schamps J, Ramirez-Solis A, Daudey JP. Radiative lifetimes of the excited electronic states of CuCI The Journal of Chemical Physics. 97: 6588-6592.  0.36
1990 Ramrez-Sols A, Daudey JP. Ab initio calculation of the radiative lifetimes of the +1 and 1 excited states of CuCl Physical Review A. 42: 5168-5174. DOI: 10.1103/PhysRevA.42.5168  0.36
1990 Ramirez-Solis A, Daudey JP. Theoretical calculation of transition energies of low-lying electronic states of the CuCl molecule Journal of Physics B: Atomic, Molecular and Optical Physics. 23: 2277-2291. DOI: 10.1088/0953-4075/23/14/016  0.36
1990 Merchan M, Daudey JP, Gonzalez-Luque R, Nebot-Gil I. On the dissociation energy of Cu2 and CuH using a differential correlation approach Chemical Physics. 148: 69-76. DOI: 10.1016/0301-0104(90)89007-D  0.36
1990 Merchan M, Daudey JP, Gonzalez-Luque R, Nebot-Gil I. Analysis of the CIPSI/DCCI approach to characterize the HF AND F2 single bond Chemical Physics. 141: 285-295. DOI: 10.1016/0301-0104(90)87064-I  0.36
1990 Clotet A, Daudey JP, Malrieu JP, Rubio J, Spiegelmann F. The effect of dynamical correlation on the valence wavefunction of molecules: Dressed complete active space self-consistent field calculations Chemical Physics. 147: 293-307. DOI: 10.1016/0301-0104(90)85045-X  0.36
1990 Ramírez-Solís A, Daudey JP, Novaro O, Ruíz ME. Nonadditivity and the stability of Ag3. A multireference configuration interaction study Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 15: 71-78. DOI: 10.1007/BF01436913  0.36
1990 Illas F, Rubio J, Ricart JM, Daudey JP. Reliability of one-electron approaches in chemisorption cluster model studies: Role of core-polarization and core-valence correlation effects The Journal of Chemical Physics. 93: 2521-2529.  0.36
1990 Ramírez Solís A, Daudey JP, Teichteil C. Multiconfigurational self-consistent field-multireference configuration interaction study of the spectroscopy of CuI including spin-orbit couplings The Journal of Chemical Physics. 93: 7277-7283.  0.36
1989 Spiegelmann F, Pavolini D, Daudey JP. Theoretical study of the excited states of the heavier alkali dimers. II. the Rb2 molecule Journal of Physics B: Atomic, Molecular and Optical Physics. 22: 2465-2483. DOI: 10.1088/0953-4075/22/16/005  0.36
1989 Pavolini D, Gustavsson T, Spiegelmann F, Daudey JP. Theoretical study of the excited states of the heavier alkali dimers. I. The RbCs molecule Journal of Physics B: Atomic, Molecular and Optical Physics. 22: 1721-1731. DOI: 10.1088/0953-4075/22/11/007  0.36
1989 Ramírez-solís A, Daudey JP. Theoretical study of the spectroscopy of low-lying electronic states of the CuF molecule Chemical Physics. 134: 111-118. DOI: 10.1016/0301-0104(89)80242-3  0.36
1988 Cisneros G, Bunge CF, Bunge AV, Daudey JP. E4ITD: A general FORTRAN implementation of the 4IT algorithm Computers and Chemistry. 12: 141-164. DOI: 10.1016/0097-8485(88)85012-5  0.36
1988 Bunge CF, Bunge AV, Cisneros G, Daudey JP. V4ITD: A portable and efficient FORTRAN implementation of the 4IT algorithm using virtual memory and an external storage device Computers and Chemistry. 12: 109-140. DOI: 10.1016/0097-8485(88)85011-3  0.36
1988 Bunge CF, Bunge AV, Cisneros G, Daudey JP. New algorithm and FORTRAN module to carry out the four-index transformation of atomic and molecular physics wholly in central memory Computers and Chemistry. 12: 91-107. DOI: 10.1016/0097-8485(88)85010-1  0.36
1988 Hliwa M, Daudey JP. Theoretical study of the potential curves for the Mg-Ar system: Application of a non-symmetric approach for the calculation of dispersion energies Chemical Physics Letters. 153: 471-476. DOI: 10.1016/0009-2614(88)85245-X  0.36
1988 Durand G, Daudey JP, Malrieu JP. The conflict between hole delocalisation and static plus dynamic polarisation in molecular cations: illustration on Mgn + clusters Theoretica Chimica Acta. 74: 299-309. DOI: 10.1007/BF00530227  0.36
1988 Bouteiller Y, Mijoule C, Nizam M, Barthelat JC, Daudey JP, Pelissier M, Silvi B. Extended gaussian-type valence basis sets for calculations involving non-empirical core pseudopotentials I. PS-31G basis for Li to Ca and Ga to Kr atoms Molecular Physics. 65: 295-312. DOI: 10.1002/Qua.560420312  0.36
1988 De Loth P, Karafiloglou P, Daudey JP, Kahn O. Ab initio calculation of the ferromagnetic interaction in a CuIIVIIO heterodinuclear system Journal of the American Chemical Society. 110: 5676-5680.  0.36
1988 Heully JL, Daudey JP. Many-body perturbation calculation on Be using a multiconfiguration model space and an intermediate Hamiltonian The Journal of Chemical Physics. 88: 1046-1052.  0.36
1987 Evangelisti S, Daudey JP, Malrieu JP. Qualitative intruder-state problems in effective Hamiltonian theory and their solution through intermediate Hamiltonians. Physical Review. A. 35: 4930-4941. PMID 9898117 DOI: 10.1103/PhysRevA.35.4930  0.36
1987 Komiha N, Daudey JP, Malrieu JP. Diabatic research of resonant states in MO-CI calculations of negative ions Journal of Physics B: Atomic and Molecular Physics. 20: 4375-4391. DOI: 10.1088/0022-3700/20/17/017  0.36
1987 Jouany C, Barthelat JC, Daudey JP. Stabilization of a π double bond between two boron atoms. A theoretical approach Chemical Physics Letters. 136: 52-56. DOI: 10.1016/0009-2614(87)87297-4  0.36
1986 Bertoncello R, Daudey JP, Granozzi G, Russo U. He I and He II photoelectron spectra and pseudopotential ab initio calculations of some tetracoordinated tin(IV) derivatives Organometallics. 5: 1866-1873.  0.36
1986 Zangrande G, Granozzi G, Casarin M, Daudey JP, Minniti D. UV PE spectra and pseudopotential ab initio calculations on trans-Pt(PEt3)2X2 complexes (X = Cl, Br, I) Inorganic Chemistry. 25: 2872-2877.  0.36
1985 Malrieu JP, Durand P, Daudey JP. Intermediate Hamiltonians as a new class of effective Hamiltonians Journal of Physics a: Mathematical and General. 18: 809-826. DOI: 10.1088/0305-4470/18/5/014  0.36
1985 Granozzi G, Lorenzoni E, Roulet R, Daudey JP, Ajo' D. Theoretical ab initio and UV-PES study of the M(CO)3-butadiene interaction in bicyclic polyene complexes Organometallics. 4: 836-841.  0.36
1985 Trinquier G, Daudey JP, Komiha N. On the stability of cubic P8 Journal of the American Chemical Society. 107: 7210-7212.  0.36
1985 De Loth P, Daudey JP, Astheimer H, Walz L, Haase W. Direct theoretical ab initio calculations in exchange coupled copper(II) dimers: Influence of the choice of the atomic basis set on the singlet-triplet splitting in modeled and real copper dimers The Journal of Chemical Physics. 82: 5048-5052.  0.36
1984 Malrieu JP, Maynau D, Daudey JP. Magnetic model for alkali and noble metals: From diatoms to the solid state Physical Review B. 30: 1817-1832. DOI: 10.1103/PhysRevB.30.1817  0.36
1984 Trinquier G, Daudey JP, Caruana G, Madaule Y. Theoretical data on the multicoordination of phosphorus and arsenic Journal of the American Chemical Society. 106: 4794-4799.  0.36
1984 Charlot MF, Verdaguer M, Journaux Y, De Loth P, Daudey JP. Ab initio direct calculation of the singlet-triplet splitting in a μ-oxalato copper(II) binuclear complex Inorganic Chemistry. 23: 3802-3808.  0.36
1983 Maynau D, Durand P, Daudey JP, Malrieu JP. Direct determination of effective Hamiltonians by wave-operator methods. II. Application to effective-spin interactions in -electron systems Physical Review A. 28: 3193-3206. DOI: 10.1103/PhysRevA.28.3193  0.36
1983 Jeung GH, Daudey JP, Malrieu JP. Inclusion of core-valence correlation effects in pseudopotential calculations. II. K2 and KH lowest Σ+ potential curves from valence-correlated wavefunctions Journal of Physics B: Atomic and Molecular Physics. 16: 699-714. DOI: 10.1088/0022-3700/16/5/006  0.36
1983 Jeung GH, Spiegelmann F, Daudey JP, Malrieu JP. Theoretical study of the lowest states of CsH and Cs2 Journal of Physics B: Atomic and Molecular Physics. 16: 2659-2675. DOI: 10.1088/0022-3700/16/15/010  0.36
1983 Evangelisti S, Daudey JP, Malrieu JP. Convergence of an improved CIPSI algorithm Chemical Physics. 75: 91-102. DOI: 10.1016/0301-0104(83)85011-3  0.36
1983 Jeung GH, Daudey JP, Malrieu JP. Theoretical study of the lowest potential curves of NaK Chemical Physics Letters. 94: 300-305. DOI: 10.1016/0009-2614(83)87092-4  0.36
1983 Jeung G, Daudey JP, Malrieu JP. Theoretical study of the electronic states of calcium and calcium hydride Chemical Physics Letters. 98: 433-438. DOI: 10.1016/0009-2614(83)80082-7  0.36
1982 Ruiz ME, Daudey JP, Novaro O. Electronic structure of the {Pd C14}2- ion a comparison of non-empirical pseudopotential results versus semiempirical approaches Molecular Physics. 46: 853-862. DOI: 10.1080/00268978200101631  0.36
1982 Daudey JP, Jeung G, Ruiz ME, Novaro O. Theoretical study on a reaction pathway for the catalytic hydrogenation of olefins by palladium complexes Molecular Physics. 46: 67-80. DOI: 10.1080/00268978200101081  0.36
1982 Jeung GH, Malrieu JP, Daudey JP. Inclusion of core-valence correlation effects in pseudopotential calculations. I. Alkali atoms and diatoms The Journal of Chemical Physics. 77: 3571-3577.  0.36
1982 Blake IO, Barthelat JC, Costes-Puech E, Oliveros E, Daudey JP. Doubly charged cation representation by pseudopotentials and its performance in predicting water-cation interactions The Journal of Chemical Physics. 76: 4130-4135.  0.36
1981 Trinquier G, Malrieu JP, Daudey JP. AB initio study of the regular polyhedral molecules N4, P4, As4, N8, P8 and As8 Chemical Physics Letters. 80: 552-557. DOI: 10.1016/0009-2614(81)85076-2  0.36
1981 De Loth P, Cassoux P, Daudey JP, Malrieu JP. Ab initio direct calculation of the singlet-triplet separation in cupric acetate hydrate dimer Journal of the American Chemical Society. 103: 4007-4016.  0.36
1980 Daudey JP, Trinquier G, Barthelat JC, Malrieu JP. Decisive role of π conjugation in the central bond length shortening of butadiene Tetrahedron. 36: 3399-3401. DOI: 10.1016/0040-4020(80)80190-6  0.36
1980 Prado FR, Giessner-Prettre C, Daudey JP, Pullman A, Hinton JF, Young G, Harpool D. Nuclear magnetic resonance spectroscopy applied to Li+ complexation by small ligands: An ab initio and experimental study of 7Li chemical shifts Journal of Magnetic Resonance (1969). 37: 431-440. DOI: 10.1016/0022-2364(80)90048-7  0.36
1980 Rubio M, Hernandez AG, Daudey JP, Cetina R. R, Diaz A. Thermal decarbonylation of some strained ketones Journal of Organic Chemistry. 45: 150-154.  0.36
1979 Ribas Prado F, Giessner-Prettre C, Pullman B, Daudey JP. Ab initio quantum mechanical calculations of the magnetic shielding tensor of phosphorus-31 of the phosphate group Journal of the American Chemical Society. 101: 1737-1742. DOI: 10.1021/Ja00501A016  0.36
1979 Berrondo M, Daudey JP, Goscinski O. Effective one-body hamiltonian for electrons in atoms Chemical Physics Letters. 62: 34-37. DOI: 10.1016/0009-2614(79)80407-8  0.36
1979 Daudey JP, Novaro O, Berrondo M. Use of pseudopotentials for the analysis of the non-additivity of short-range intermolecular interactions Chemical Physics Letters. 62: 26-30. DOI: 10.1016/0009-2614(79)80405-4  0.36
1979 Daudey JP, Novaro O, Kotos W, Berrondo M. Convergence of multibody expansions for alkaline earth metals. Contrast between magnesium and beryllium clusters The Journal of Chemical Physics. 71: 4297-4303.  0.36
1979 Pineda J, Novaro O, Daudey JP, Blaisten-Barojas E. Ab initio molecular orbital study of the catalytic exchange reaction between hydrogen and sodium amide The Journal of Chemical Physics. 71: 5124-5133.  0.36
1978 Claverie P, Daudey JP, Langlet J, Pullman B, Piazzola D, Huron MJ. Studies of solvent effects. 1. Discrete, continuum, and discrete-continuum models and their comparison for some simple cases: NH4 +, CH3OH, and substituted NH4 + Journal of Physical Chemistry. 82: 405-418.  0.36
1977 Langlet J, Daudey JP, Malrieu JP. An attempt to approach the solutions of the N-electron CNDO hamiltonian for conformational studies of conjugated systems Chemical Physics Letters. 45: 481-486. DOI: 10.1016/0009-2614(77)80070-5  0.36
1977 Langlet J, Claverie P, Pullman B, Piazzola D, Daudey JP. Studies of solvent effects - III. Solvent effect on the conformation of acetylcholine Theoretica Chimica Acta. 46: 105-116. DOI: 10.1007/Bf00548086  0.36
1977 Bruni MC, Daudey JP, Langlet J, Malrieu JP, Momicchioli F. On the extent of charge separation in suddenly polarized twisted excited states of linear polyenes Journal of the American Chemical Society. 99: 3587-3596.  0.36
1975 Daudey JP, Diner S, Savinelli R. Numerical integration techniques for quantum chemistry - The role of periodization in the calculation of electronic integrals Theoretica Chimica Acta. 37: 275-283. DOI: 10.1007/BF01028397  0.36
1974 Daudey JP. Direct determination of localized SCF orbitals Chemical Physics Letters. 24: 574-578. DOI: 10.1016/0009-2614(74)80185-5  0.36
1974 Daudey JP, Langlet J, Malrieu JP. Localized ab initio analysis of an electrocyclic reaction Journal of the American Chemical Society. 96: 3393-3397.  0.36
1970 Daudey JP, Pullman A. Zero-field splitting parameters in heterocyclic molecules III. Explicit configuration mixing and double pertubation treatment including doubly excited configurations Chemical Physics Letters. 5: 347-350. DOI: 10.1016/0009-2614(70)85163-6  0.36
1970 Mantione MJ, Daudey JP. A microscopic model for the calculation of solvent effects on molecular electronic spectra. Transition energy shifts and polarizabilities of excited states of benzene Chemical Physics Letters. 6: 93-96. DOI: 10.1016/0009-2614(70)80141-5  0.36
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