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Results:
1-14
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Results: 14
Authors:
PAPAI I
STIRLING A
MINK J
NAKAMOTO K
Citation: I. Papai et al., CAN THE FECO BENDING BE HIGHER THAN THE FEC STRETCHING FREQUENCY IN CO ADDUCTS OF HEME-PROTEINS, Chemical physics letters, 287(5-6), 1998, pp. 531-534
Authors:
LEE YK
MANCERON L
PAPAI I
Citation: Yk. Lee et al., AN IR MATRIX-ISOLATION AND DFT THEORETICAL-STUDY OF THE FIRST STEPS OF THE TI(0) ETHYLENE REACTION - VINYL TITANIUM HYDRIDE AND TITANACYCLOPROPENE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(50), 1997, pp. 9650-9659
Authors:
PAPAI I
MASCETTI J
FOURNIER R
Citation: I. Papai et al., THEORETICAL-STUDY OF THE INTERACTION OF THE TI ATOM WITH CO2 - CLEAVAGE OF THE C-O BOND, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(24), 1997, pp. 4465-4471
Authors:
GALAN F
FOUASSIER M
TRANQUILLE M
MASCETTI J
PAPAI I
Citation: F. Galan et al., CO2 COORDINATION TO NICKEL ATOMS - MATRIX-ISOLATION AND DENSITY-FUNCTIONAL STUDIES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(14), 1997, pp. 2626-2633
Authors:
STALHANDSKE CMV
MINK J
SANDSTROM M
PAPAI I
JOHANSSON P
Citation: Cmv. Stalhandske et al., VIBRATIONAL SPECTROSCOPIC AND FORCE-FIELD STUDIES OF N,N-DIMETHYLTHIOFORMAMIDE, N,N-DIMETHYLFORMAMIDE, THEIR DEUTERATED ANALOGS AND BIS(N,N-DIMETHYLTHIOFORMAMIDE)MERCURY(II) PERCHLORATE, Vibrational spectroscopy, 14(2), 1997, pp. 207-227
Authors:
PAPAI I
CASTRO M
Citation: I. Papai et M. Castro, A DENSITY-FUNCTIONAL STUDY OF SC-2 AND SC-3, Chemical physics letters, 267(5-6), 1997, pp. 551-556
Authors:
PAPAI I
STIRLING A
Citation: I. Papai et A. Stirling, THE COVALENTLY BOUND N3O2 MOLECULE - 2 POSSIBLE ISOMERS, Chemical physics letters, 253(1-2), 1996, pp. 196-200
Authors:
PAPAI I
GOURSOT A
FAJULA F
PLEE D
WEBER J
Citation: I. Papai et al., MODELING OF N-2 AND O-2 ADSORPTION IN ZEOLITES, Journal of physical chemistry, 99(34), 1995, pp. 12925-12932
Authors:
PAPAI I
Citation: I. Papai, THEORETICAL-STUDY OF THE CU(H2O) AND CU(NH3) COMPLEXES AND THEIR PHOTOLYSIS PRODUCTS, The Journal of chemical physics, 103(5), 1995, pp. 1860-1870
Authors:
PAPAI I
GOURSOT A
FAJULA F
WEBER J
Citation: I. Papai et al., DENSITY-FUNCTIONAL CALCULATIONS ON MODEL CLUSTERS OF ZEOLITE-BETA, Journal of physical chemistry, 98(17), 1994, pp. 4654-4659
Authors:
STIRLING A
PAPAI I
MINK J
SALAHUB DR
Citation: A. Stirling et al., DENSITY-FUNCTIONAL STUDY OF NITROGEN-OXIDES, The Journal of chemical physics, 100(4), 1994, pp. 2910-2923
Authors:
GOURSOT A
PAPAI I
DAUL CA
Citation: A. Goursot et al., NUMERICAL GRIDS FOR DENSITY-FUNCTIONAL CALCULATIONS OF MOLECULAR-PROPERTIES, International journal of quantum chemistry, 52(4), 1994, pp. 799-807
Authors:
CAMPANA L
SELLONI A
WEBER J
PASQUARELLO A
PAPAI I
GOURSOT A
Citation: L. Campana et al., 1ST PRINCIPLES MOLECULAR-DYNAMICS CALCULATION OF THE STRUCTURE AND ACIDITY OF A BULK ZEOLITE, Chemical physics letters, 226(3-4), 1994, pp. 245-250
Authors:
PAPAI I
MINK J
FOURNIER R
SALAHUB DR
Citation: I. Papai et al., SINGLET-STATE AND TRIPLET-STATE NI(C2H4) - A DENSITY-FUNCTIONAL STUDY, Journal of physical chemistry, 97(39), 1993, pp. 9986-9991
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1-14
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