| Year |
Citation |
Score |
| 1991 |
Wiest R, Demuynck J, Bénard M, Rohmer MM, Ernenwein R. A program system for ab initio MO calculations on vector and parallel processing machines. III. Integral reordering and four-index transformation Computer Physics Communications. 62: 107-124. DOI: 10.1016/0010-4655(91)90125-5 |
0.488 |
|
| 1990 |
Rohmer MM, Demuynck J, Bénard M, Wiest R, Bachmann C, Henriet C, Ernenwein R. A program system for ab initio MO calculations on vector and parallel processing machines. II. SCF closed-shell and open-shell iterations Computer Physics Communications. 60: 127-144. DOI: 10.1016/0010-4655(90)90082-C |
0.512 |
|
| 1988 |
Mougenot P, Demuynck J, Benard M, Bauschlicher CW. Metal-metal bonding in (C5H5V)2C8H8: A new interpretation of ab initio results Journal of the American Chemical Society. 110: 4503-4505. DOI: 10.1021/Ja00222A003 |
0.392 |
|
| 1987 |
Granozzi G, Mougenot P, Demuynck J, Benard M. UV photoelectron spectrum and electronic structure of bis(.eta.5-cyclopentadienyl)di-.mu.-nitrosyldiiron: an interpretation by means of ab initio CI calculations Inorganic Chemistry. 26: 2588-2594. DOI: 10.1021/Ic00263A008 |
0.374 |
|
| 1987 |
Mougenot P, Demuynck J, Bénard M. Rh2(O2CR)4(H2O)+ 2: theoretical confirmation of the σ2π4δ2δ{black star}2π{black star}3 ground state Chemical Physics Letters. 136: 279-282. DOI: 10.1016/0009-2614(87)80251-8 |
0.389 |
|
| 1986 |
Baert F, Guelzim A, Poblet JM, Wiest R, Demuynck J, Bénard M. Dynamic, static, and theoretical electron deformation density for binuclear transition-metal complexes: Dicobalt hexacarbonyl acetylene Inorganic Chemistry. 25: 1830-1841. DOI: 10.1021/Ic00231A024 |
0.331 |
|
| 1985 |
Wiest R, Strich A, Demuynck J, Bénard M, Siegbahn PEM. Single excitations on multideterminantal CI wavefunctions: A treatment of the left-right correlation in multiple metal-metal bonds. Application to Cr2H6 Chemical Physics Letters. 122: 453-458. DOI: 10.1016/0009-2614(85)87245-6 |
0.661 |
|
| 1981 |
Hyla-Kryspin I, Demuynck J, Strich A, Bénard M. Gaussian basis sets for the transition metals of the first and second series The Journal of Chemical Physics. 75: 3954-3961. DOI: 10.1063/1.442552 |
0.659 |
|
| 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 |
0.678 |
|
| 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 |
0.578 |
|
| 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 |
0.501 |
|
| 1979 |
Demuynck J, Kochanski E, Veillard A. Metal-rare gas interaction. A new bond? Journal of the American Chemical Society. 101: 3467-3472. |
0.621 |
|
| 1978 |
Demuynck J, Rohmer MM. Gas phase structure of beryllocene, an ab initio LCAO MO SCF study Chemical Physics Letters. 54: 567-570. DOI: 10.1016/0009-2614(78)85288-9 |
0.572 |
|
| 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. |
0.418 |
|
| 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 |
0.459 |
|
| 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 |
0.613 |
|
| 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 |
0.537 |
|
| 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. |
0.543 |
|
| 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 |
0.524 |
|
| 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 |
0.539 |
|
| 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 |
0.505 |
|
| 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 |
0.441 |
|
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