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Results: 1-19 |
Results: 19
CUPROPHILICITY, A STILL ELUSIVE CONCEPT - A THEORETICAL-ANALYSIS OF THE LIGAND-UNSUPPORTED CU-I-CU-I INTERACTION IN 2 RECENTLY REPORTED COMPLEXES
Authors: POBLET JM BENARD M
Citation: Jm. Poblet et M. Benard, CUPROPHILICITY, A STILL ELUSIVE CONCEPT - A THEORETICAL-ANALYSIS OF THE LIGAND-UNSUPPORTED CU-I-CU-I INTERACTION IN 2 RECENTLY REPORTED COMPLEXES, Chemical communications, (11), 1998, pp. 1179-1180
ELECTRONIC-STRUCTURE OF THE HIGHLY REDUCED POLYOXOANION [PMO12O40(VO)(2)](5-) - A DFT STUDY
Authors: MAESTRE JM POBLET JM BO C CASANPASTOR N GOMEZROMERO P
Citation: Jm. Maestre et al., ELECTRONIC-STRUCTURE OF THE HIGHLY REDUCED POLYOXOANION [PMO12O40(VO)(2)](5-) - A DFT STUDY, Inorganic chemistry, 37(13), 1998, pp. 3444
AB-INITIO STUDY OF THE RELATIVE BASICITY OF THE EXTERNAL OXYGEN SITESIN M2W4O194- (M = NB AND V)
Authors: MAESTRE JM SARASA JP BO C POBLET JM
Citation: Jm. Maestre et al., AB-INITIO STUDY OF THE RELATIVE BASICITY OF THE EXTERNAL OXYGEN SITESIN M2W4O194- (M = NB AND V), Inorganic chemistry, 37(12), 1998, pp. 3071-3077
DFT DESCRIPTION OF BINARY METAL MET-CARS TIXZRYC12 (X+Y=8) AND OF SOME CONFORMERS OF THE M6C12, M7C12, AND M8C13 CLUSTERS (M = TI, ZR)
Authors: MUNOZ J PUJOL C BO C POBLET JM ROHMER MM BENARD M
Citation: J. Munoz et al., DFT DESCRIPTION OF BINARY METAL MET-CARS TIXZRYC12 (X+Y=8) AND OF SOME CONFORMERS OF THE M6C12, M7C12, AND M8C13 CLUSTERS (M = TI, ZR), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(44), 1997, pp. 8345-8350
BONDING IN ELONGATED DIHYDROGEN COMPLEXES - THEORETICAL-ANALYSIS OF THE ELECTRON-DENSITY IN [ML(N)(H-CENTER-DOT-CENTER-DOT-CENTER-DOT-H)] SPECIES
Authors: MASERAS F LLEDOS A COSTAS M POBLET JM
Citation: F. Maseras et al., BONDING IN ELONGATED DIHYDROGEN COMPLEXES - THEORETICAL-ANALYSIS OF THE ELECTRON-DENSITY IN [ML(N)(H-CENTER-DOT-CENTER-DOT-CENTER-DOT-H)] SPECIES, Organometallics, 15(13), 1996, pp. 2947-2953
PROTONATION OF THE CO-RH BOND IN CORH(MU-CO)(CO)(2)(MU-DPPM)(2)
Authors: BO C POBLET JM COSTAS M SARASA JP
Citation: C. Bo et al., PROTONATION OF THE CO-RH BOND IN CORH(MU-CO)(CO)(2)(MU-DPPM)(2), Journal of molecular structure. Theochem, 371, 1996, pp. 37-43
WHY ARE [CU8TE12](4-) CAGE CLUSTERS AND METALLOCARBOHEDRENES M(8)C(12) TOPOLOGICALLY DIFFERENT - AN AB-INITIO SCF STUDY
Authors: POBLET JM ROHMER MM BENARD M
Citation: Jm. Poblet et al., WHY ARE [CU8TE12](4-) CAGE CLUSTERS AND METALLOCARBOHEDRENES M(8)C(12) TOPOLOGICALLY DIFFERENT - AN AB-INITIO SCF STUDY, Inorganic chemistry, 35(13), 1996, pp. 4073
ELECTRONIC-STRUCTURE OF RH-2(MU-CO)(CO)(2)(H2PCH2PH2)(2) - AN EXAMPLEOF A NON-A-FRAME STRUCTURE
Authors: BO C COSTAS M POBLET JM ROHMER MM BENARD M
Citation: C. Bo et al., ELECTRONIC-STRUCTURE OF RH-2(MU-CO)(CO)(2)(H2PCH2PH2)(2) - AN EXAMPLEOF A NON-A-FRAME STRUCTURE, Inorganic chemistry, 35(11), 1996, pp. 3298-3306
AB-INITIO SCF AND DFT MODELS OF MET-CAR ADDUCTS - TI8C12(L)(N) (L=CL,NH3, CO, C6H6 N=4, 8)
Authors: POBLET JM BO C ROHMER MM BENARD M
Citation: Jm. Poblet et al., AB-INITIO SCF AND DFT MODELS OF MET-CAR ADDUCTS - TI8C12(L)(N) (L=CL,NH3, CO, C6H6 N=4, 8), Chemical physics letters, 260(5-6), 1996, pp. 577-581
[(ETA-C5H5)M](4)O-6 (M=NB,V) - AB-INITIO CALCULATIONS PREDICT EQUIVALENT METAL ATOMS IN A RECTANGULAR CONFORMATION
Authors: SARASA JP POBLET JM ROHMER MM BENARD M
Citation: Jp. Sarasa et al., [(ETA-C5H5)M](4)O-6 (M=NB,V) - AB-INITIO CALCULATIONS PREDICT EQUIVALENT METAL ATOMS IN A RECTANGULAR CONFORMATION, Organometallics, 14(12), 1995, pp. 5665-5669
DIVERSITY IN THE ELECTRONIC-STRUCTURES OF METALLOCARBOHEDRENES - AB-INITIO STUDY OF M(8)C(12) (M=TI, V, ZR, NB) AND TI(4)M'(4)C(12) (M'=V, ZR)
Authors: BENARD M ROHMER MM POBLET JM BO C
Citation: M. Benard et al., DIVERSITY IN THE ELECTRONIC-STRUCTURES OF METALLOCARBOHEDRENES - AB-INITIO STUDY OF M(8)C(12) (M=TI, V, ZR, NB) AND TI(4)M'(4)C(12) (M'=V, ZR), Journal of physical chemistry, 99(46), 1995, pp. 16913-16924
MULTIPLE METAL ADDITIONS TO C-60 - AN AB-INITIO STUDY OF [M(PH3)(2)]C-N(60) (M=PT AND PD N=1, 2, AND 6)
Authors: BO C COSTAS M POBLET JM
Citation: C. Bo et al., MULTIPLE METAL ADDITIONS TO C-60 - AN AB-INITIO STUDY OF [M(PH3)(2)]C-N(60) (M=PT AND PD N=1, 2, AND 6), Journal of physical chemistry, 99(16), 1995, pp. 5914-5921
TRIOXORHENIUM AND TRIOXOTECHNETIUM AS STRONG ACCEPTOR GROUPS .3. CHARGE-TRANSFER AND BONDING ENERGETICS IN O(3)M-M(CO)(5) (M=RE,TC)
Authors: COSTAS M POBLET JM ROHMER MM BENARD M
Citation: M. Costas et al., TRIOXORHENIUM AND TRIOXOTECHNETIUM AS STRONG ACCEPTOR GROUPS .3. CHARGE-TRANSFER AND BONDING ENERGETICS IN O(3)M-M(CO)(5) (M=RE,TC), Inorganic chemistry, 34(1), 1995, pp. 176-183
AB-INITIO SCF AND CI INVESTIGATIONS ON TITANIUM CARBON CLUSTERS - METALLOCARBOHEDRENES TI8C12 AND FCC CRYSTALLITES TI14C13
Authors: ROHMER MM BENARD M BO C POBLET JM
Citation: Mm. Rohmer et al., AB-INITIO SCF AND CI INVESTIGATIONS ON TITANIUM CARBON CLUSTERS - METALLOCARBOHEDRENES TI8C12 AND FCC CRYSTALLITES TI14C13, Journal of the American Chemical Society, 117(1), 1995, pp. 508-517
CHEMISORPTION OF ALUMINUM AND CHLORINE ON THE SI(111) SURFACE - AN AB-INITIO STUDY OF THE NATURE OF THE INTERACTION
Authors: BO C MAESTRE JM POBLET JM RICART JM
Citation: C. Bo et al., CHEMISORPTION OF ALUMINUM AND CHLORINE ON THE SI(111) SURFACE - AN AB-INITIO STUDY OF THE NATURE OF THE INTERACTION, Chemical physics, 181(1-2), 1994, pp. 63-71
INFLUENCE OF THE CHROMATOGRAPHIC CAPACITY FACTOR (LOG K') AS AN INDEXOF LIPOPHILICITY IN THE ANTIBACTERIAL ACTIVITY OF A SERIES OF 6-FLUOROQUINOLONES - RELATIONSHIP BETWEEN PHYSICOCHEMICAL AND STRUCTURAL-PROPERTIES AND THEIR HYDROPHOBICITY
Authors: MARTORELL C CALPENA AC ESCRIBANO E POBLET JM FREIXAS J
Citation: C. Martorell et al., INFLUENCE OF THE CHROMATOGRAPHIC CAPACITY FACTOR (LOG K') AS AN INDEXOF LIPOPHILICITY IN THE ANTIBACTERIAL ACTIVITY OF A SERIES OF 6-FLUOROQUINOLONES - RELATIONSHIP BETWEEN PHYSICOCHEMICAL AND STRUCTURAL-PROPERTIES AND THEIR HYDROPHOBICITY, Journal of chromatography, 655(2), 1993, pp. 177-184
NEW DITHIOLATE-BRIDGED RHODIUM COMPLEXES
Authors: MASDEU AM RUIZ A CASTILLON S CLAVER C HITCHCOCK PB CHALONER PA BO C POBLET JM SARASA P
Citation: Am. Masdeu et al., NEW DITHIOLATE-BRIDGED RHODIUM COMPLEXES, Journal of the Chemical Society. Dalton transactions, (18), 1993, pp. 2689-2696
TI8C-12 - A POLYTOPAL MOLECULE WITH 36 TI-C BONDS
Authors: ROHMER MM BENARD M HENRIET C BO C POBLET JM
Citation: Mm. Rohmer et al., TI8C-12 - A POLYTOPAL MOLECULE WITH 36 TI-C BONDS, Journal of the Chemical Society, Chemical Communications, (15), 1993, pp. 1182-1185
TOPOLOGICAL ANALYSIS OF CHARGE-DENSITY IN IONIC SOLIDS
Authors: SOUSA C ILLAS F BO C POBLET JM
Citation: C. Sousa et al., TOPOLOGICAL ANALYSIS OF CHARGE-DENSITY IN IONIC SOLIDS, Chemical physics letters, 215(1-3), 1993, pp. 97-102
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