| Year |
Citation |
Score |
| 2009 |
Rohmer M, Barry M, Dedieu A, Veillard A. End-on versus side-on coordination of dioxygen: An ab initio calculation for peroxotitaniumporphyrin International Journal of Quantum Chemistry. 12: 337-342. DOI: 10.1002/Qua.560120733 |
0.697 |
|
| 1994 |
Matsubara T, Daniel C, Veillard A. Photosubstitution of d6 metal carbonyls M(CO)5L revisited: A theoretical study Organometallics. 13: 4905-4911. DOI: 10.1021/Om00024A037 |
0.423 |
|
| 1992 |
Veillard A, Rohmer M. Structure of Mn2(CO)10 and Mn2(CO)9: Insights from ab initio calculations International Journal of Quantum Chemistry. 42: 965-976. DOI: 10.1002/Qua.560420431 |
0.534 |
|
| 1990 |
Veillard A, Daniel C, Rohmer MM. Cobalt tetracarbonyl hydride and cobalt tricarbonyl hydride revisited: structure and electronic states through ab initio calculations The Journal of Physical Chemistry. 94: 5556-5559. DOI: 10.1021/J100377A029 |
0.559 |
|
| 1990 |
Veillard A, Daniel C, Rohmer MM. HCo(CO)4 and HCo(CO)3 revisited: Structure and electronic states through ab initio calculations Journal of Physical Chemistry. 94: 5556-5559. |
0.553 |
|
| 1990 |
Veillard A, Daniel C, Rohmer MM. HCo(CO)4 and HCo(CO)3 revisited: Structure and electronic states through ab initio calculations Journal of Physical Chemistry. 94: 5556-5559. |
0.313 |
|
| 1989 |
Daniel C, Veillard A. Theoretical study of the cis-trans isomerism in disubstituted d6 metal carbonyls Inorganic Chemistry. 28: 1170-1173. |
0.448 |
|
| 1988 |
Veillard A, Daniel C, Strich A. Photochemistry of organometallics: Potential energy surfaces and reaction mechanisms Pure and Applied Chemistry. 60: 215-221. DOI: 10.1351/Pac198860020215 |
0.743 |
|
| 1988 |
Veillard A, Strich A. A CASSCF and CCI study of the photochemistry of HCo(CO)4 Journal of the American Chemical Society. 110: 3793-3797. DOI: 10.1021/Ja00220A012 |
0.673 |
|
| 1987 |
Veillard A, Strich A, Daniel C, Siegbahn PEM. A CAS SCF CCI study of the lowest excited states of HMn(CO)5 and Fe(CO)5 Chemical Physics Letters. 141: 329-333. DOI: 10.1016/0009-2614(87)85033-9 |
0.706 |
|
| 1984 |
Daniel C, Benard M, Dedieu A, Wiest R, Veillard A. Theoretical aspects of the photochemistry of organometallics. 3. Potential energy curves for the photodissociation of pentacarbonyliron (Fe(CO)5) The Journal of Physical Chemistry. 88: 4805-4811. DOI: 10.1021/J150665A004 |
0.616 |
|
| 1984 |
Rohmer MM, Strich A, Veillard A. Conformational preferences of the axial ligands in some metalloporphyrins. A theoretical study Theoretica Chimica Acta. 65: 219-231. DOI: 10.1007/Bf00551335 |
0.726 |
|
| 1984 |
Veillard A, Dedieu A. Gaussian basis sets for transition metals of the second series Theoretica Chimica Acta. 65: 215-218. DOI: 10.1007/Bf00551334 |
0.512 |
|
| 1984 |
Daniel C, Bénard M, Dedieu A, Wiest R, Veillard A. Theoretical aspects of the photochemistry of organometallics. 3. Potential energy curves for the photodissociation of Fe(CO)5 Journal of Physical Chemistry. 88: 4805-4811. |
0.646 |
|
| 1983 |
Rohmer MM, Dedieu A, Veillard A. Structure and properties of a model of deoxyheme, an ab initio SCF calculation Chemical Physics. 77: 449-462. DOI: 10.1016/0301-0104(83)85099-X |
0.662 |
|
| 1983 |
Veillard A, Dedieu A. State correlation diagrams for the photochemical reactions of organometallics Theoretica Chimica Acta. 63: 339-348. DOI: 10.1007/Bf01151611 |
0.538 |
|
| 1982 |
Dedieu A, Rohmer MM, Veillard A. Ab Initio Calculations of Metalloporphyrins Advances in Quantum Chemistry. 16: 43-95. DOI: 10.1016/S0065-3276(08)60351-2 |
0.757 |
|
| 1981 |
Strich A, Veillard A. The structure of the active oxygen complex of catalase: Model calculations Theoretica Chimica Acta. 60: 379-383. DOI: 10.1007/Bf00549281 |
0.705 |
|
| 1981 |
Demuynck J, Rohmer MM, Strich A, Veillard A. Bulk properties or not: The electronic structure of small metal clusters The Journal of Chemical Physics. 75: 3443-3453. DOI: 10.1002/Chin.198149001 |
0.748 |
|
| 1980 |
Bachmann C, Demuynck J, Veillard A. Structure and electronic properties of copper clusters. An ab Initio LCAO-MO-SCF study Faraday Symposia of the Chemical Society. 14: 170-179. DOI: 10.1039/Fs9801400170 |
0.642 |
|
| 1980 |
Bachmann C, Demuynck J, Veillard A. Structure Et Proprietes Electroniques D'Agregats D'Atomes De Cuivre. Une Etude Lcao-Mo-Scf "Ab Initio". Studies in Surface Science and Catalysis. 4: 269-278. DOI: 10.1016/S0167-2991(08)65184-8 |
0.597 |
|
| 1979 |
Demuynck J, Kochanski E, Veillard A. Metal-rare gas interaction. A new bond? Journal of the American Chemical Society. 101: 3467-3472. |
0.584 |
|
| 1979 |
Demuynck J, Kochanski E, Veillard A. Metal-rare gas interaction. A new bond? Journal of the American Chemical Society. 101: 3467-3472. |
0.584 |
|
| 1978 |
Bachmann C, Demuynck J, Veillard A. Stereochemistry of trans-MoX4(C2H4)2 and MoX4(O2)2 complexes Journal of the American Chemical Society. 100: 2366-2369. |
0.56 |
|
| 1976 |
Dedieu A, Rohmer MM, Benard M, Veillard A. Oxygen binding to iron porphyrins. An ab initio calculation [7] Journal of the American Chemical Society. 98: 3717-3718. PMID 1270708 DOI: 10.1021/Ja00428A060 |
0.658 |
|
| 1976 |
Dedieu A, Rohmer MM, Veillard A. Binding of dioxygen to metal complexes. The oxygen adduct of Co(acacen) Journal of the American Chemical Society. 98: 5789-5800. DOI: 10.1021/Ja00435A009 |
0.638 |
|
| 1975 |
Delpuech JJ, Serratrice G, Strich A, Veillard A. An ab initio lcao-mo-scf study of reaction paths for proton transfer in ammonium aqueous solution Molecular Physics. 29: 849-871. DOI: 10.1080/00268977500100751 |
0.674 |
|
| 1975 |
Rohmer MM, Veillard A. A discussion of the bonding in ferrocene from an ab initio LCAO MO SCF calculation Chemical Physics. 11: 349-355. DOI: 10.1016/0301-0104(75)80054-1 |
0.538 |
|
| 1975 |
Veillard H, Demuynck J, Veillard A. Hydration of the ions Al3+ and Cu2+. An ab initio SCF study Chemical Physics Letters. 33: 221-224. DOI: 10.1016/0009-2614(75)80141-2 |
0.566 |
|
| 1975 |
Dedieu A, Veillard A. Electronic aspects of dioxygen binding to cobalt-schiff-base-complexes: An ab initio calculation Theoretica Chimica Acta. 36: 231-235. DOI: 10.1007/Bf00572564 |
0.619 |
|
| 1975 |
Rohmer MM, Dedieu A, Veillard A. End-on versus side-on coordination of dioxygen model ab initio calculations for the adducts of Co(acacen) Theoretica Chimica Acta. 39: 189-195. DOI: 10.1007/Bf00550321 |
0.706 |
|
| 1974 |
Rohmer MM, Veillard A, Wood MH. Excited states and electronic spectrum of ferrocene Chemical Physics Letters. 29: 466-468. DOI: 10.1016/0009-2614(74)85146-8 |
0.498 |
|
| 1974 |
Rohmer MM, Demuynck J, Veillard A. A "double-zeta" type wavefunction for an organometallic: Bis-(π-allyl)nickel Theoretica Chimica Acta. 36: 93-102. DOI: 10.1007/Bf00554340 |
0.684 |
|
| 1973 |
Rohmer MM, Veillard A. Photoelectron spectrum of bis-(π-allyl)nickel Journal of the Chemical Society, Chemical Communications. 250-251. DOI: 10.1039/C39730000250 |
0.52 |
|
| 1973 |
Demuynck J, Veillard A. Electronic structure of the nickel tetracyanonickelate Ni(CN)4 2- and nickel carbonyl Ni(CO)4. An ab-initio LCAO-MO-SCF calculation Theoretica Chimica Acta. 28: 241-265. DOI: 10.1007/BF00533488 |
0.65 |
|
| 1973 |
Demuynck J, Veillard A, Wahlgren U. Bonding, spectra, and geometry of the tetrachlorocuprate ion CuCl4 2-. An ab initio LCAO-MO-SCF calculation Journal of the American Chemical Society. 95: 5563-5574. |
0.638 |
|
| 1973 |
Strich A, Veillard A. Electronic structure of phosphorus pentafluoride and polytopal rearrangement in phosphoranes Journal of the American Chemical Society. 95: 5574-5581. |
0.667 |
|
| 1972 |
Delpuech JJ, Serratrice G, Strich A, Veillard A. Reaction path for the proton transfer NH4 +/NH 3; an ab initio SCF-LCAO-MO study Journal of the Chemical Society, Chemical Communications. 817-818. DOI: 10.1039/C39720000817 |
0.664 |
|
| 1972 |
Coutière MM, Demuynck J, Veillard A. Ionization potentials of ferrocene and Koopmans' theorem. An ab initio LCAO-MO-SCF calculation Theoretica Chimica Acta. 27: 281-287. DOI: 10.1007/Bf00868854 |
0.652 |
|
| 1972 |
DEDIEU A, VEILLARD A. ChemInform Abstract: VERGLEICHENDE UNTERSUCHUNG VON S(N)2-RK. DURCH AB-INITIO-BERECHNUNGEN Chemischer Informationsdienst. 3. DOI: 10.1002/chin.197248150 |
0.483 |
|
| 1972 |
Dedieu A, Veillard A. A comparative study of some SN2 reactions through ab initio calculations Journal of the American Chemical Society. 94: 6730-6738. |
0.554 |
|
| 1971 |
Demuynck J, Veillard A, Vinot G. Ab initio calculation of the electronic structure of the Ni(CN)4 2- ion Chemical Physics Letters. 10: 522-525. DOI: 10.1016/0009-2614(71)87028-8 |
0.647 |
|
| 1970 |
Demuynck J, Veillard A. Bonding in phosphineborane and phosphine oxide: An Ab initio SCF-LCAO-MO study Journal of the Chemical Society D: Chemical Communications. 873-874. DOI: 10.1039/C29700000873 |
0.606 |
|
| 1970 |
Dedieu A, Veillard A. AB initio calculation of activation energy for an SN2 reaction Chemical Physics Letters. 5: 328-330. DOI: 10.1016/0009-2614(70)85156-9 |
0.549 |
|
| 1970 |
Veillard A, Demuynck J. Barrier to internal rotation in hydrogen persulphide Chemical Physics Letters. 4: 476-478. DOI: 10.1016/0009-2614(70)85019-9 |
0.548 |
|
| 1969 |
Berthier G, David DJ, Veillard A. Ab initio calculations on a typical SN2 Reaction - Electronic structure of methyl fluoride and of the transition state (FCH3F)- | Calculs non empiriques sur une réaction SN2 typique - Structure électronique du fluorure de méthyle et de l'état de transition (FCH3F)- Theoretica Chimica Acta. 14: 329-338. DOI: 10.1007/BF00527114 |
0.561 |
|
| 1966 |
Berthier G, Del Re G, Veillard A. Some remarks on approximation formulae used for molecular calculations Il Nuovo Cimento B Series 10. 44: 315-325. DOI: 10.1007/BF02710810 |
0.524 |
|
| 1966 |
Veillard A, Berthier G. π-electron approximation in pyridine and related compounds Theoretica Chimica Acta. 4: 347-351. DOI: 10.1007/BF01129649 |
0.487 |
|
| 1965 |
Veillard A, Pullman B. [Additional material on the electronic structure of biological ferroporphyrins]. Journal of Theoretical Biology. 8: 317-26. PMID 5876242 |
0.466 |
|
| 1965 |
Veillard A, Pullman B. [Aspects of the electronic structure of vitamin B12 and of its analogs]. Journal of Theoretical Biology. 8: 307-16. PMID 5876241 |
0.454 |
|
| 1965 |
Berthier G, Lemaire H, Rassat A, Veillard A. Interprétation structurale des spectres hyperfins des radicaux libres et méthodes de chimie quantique - Exemple des radicaux nitroxydes Theoretica Chimica Acta. 3: 213-230. DOI: 10.1007/Bf00527717 |
0.512 |
|
| 1964 |
Berthier G, Veillard A, Del Re G. Proton splitting constants and hybridisation in aromatic free radicals Physics Letters. 8: 313-314. |
0.481 |
|
| 1963 |
VEILLARD A, PULLMAN B. [On the incorporation of purine bases into vitamin B12 analogs]. Comptes Rendus Hebdomadaires Des SéAnces De L'AcadéMie Des Sciences. 257: 291-3. PMID 13996553 |
0.382 |
|
| 1963 |
Veillard A, Pullman B. [Study using the self-consistent molecular field method of the electronic structure of purine and pyrimidine bases of biochemical value]. Journal of Theoretical Biology. 4: 37-51. PMID 4289947 |
0.461 |
|
| 1961 |
VEILLARD A, PULLMAN B, BERTHIER G. [Theoretical research on the diamagnetic anisotropy of conjugated molecules of biological interest]. Comptes Rendus Hebdomadaires Des SéAnces De L'AcadéMie Des Sciences. 252: 2321-2. PMID 13780596 |
0.588 |
|
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