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Results:
1-25
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Results: 25
Authors:
FERRARI AM
HUBER S
KNOZINGER H
NEYMAN KM
ROSCH N
Citation: Am. Ferrari et al., FTIR SPECTROSCOPIC AND DENSITY-FUNCTIONAL MODEL CLUSTER STUDIES OF METHANE ADSORPTION ON MGO, JOURNAL OF PHYSICAL CHEMISTRY B, 102(23), 1998, pp. 4548-4555
Authors:
FERRARI AM
NEYMAN KM
HUBER S
KNOZINGER H
ROSCH N
Citation: Am. Ferrari et al., DENSITY-FUNCTIONAL STUDY OF METHANE INTERACTION WITH ALKALI AND ALKALINE-EARTH METAL-CATIONS IN ZEOLITES, Langmuir, 14(19), 1998, pp. 5559-5567
Authors:
FERRARI AM
NEYMAN KM
ROSCH N
Citation: Am. Ferrari et al., CO INTERACTION WITH ALKALI-METAL CATIONS IN ZEOLITES - A DENSITY-FUNCTIONAL MODEL CLUSTER STUDY, JOURNAL OF PHYSICAL CHEMISTRY B, 101(45), 1997, pp. 9292-9298
Authors:
NEYMAN KM
STAUFER M
NASLUZOV VA
ROSCH N
Citation: Km. Neyman et al., STRUCTURE AND VIBRATIONS OF ADSORPTION COMPLEXES NH3 RU(001) - DENSITY-FUNCTIONAL MODEL CLUSTER STUDIES/, Journal of molecular catalysis. A, Chemical, 119(1-3), 1997, pp. 245-251
ADSORPTION OF ISOLATED CU, NI AND PD ATOMS ON VARIOUS SITES OF MGO(001) - DENSITY-FUNCTIONAL STUDIES
Authors:
NEYMAN KM
VENT S
PACCHIONI G
ROSCH N
Citation: Km. Neyman et al., ADSORPTION OF ISOLATED CU, NI AND PD ATOMS ON VARIOUS SITES OF MGO(001) - DENSITY-FUNCTIONAL STUDIES, Nuovo cimento della Societa italiana di fisica. D, Condensed matter,atomic, molecular and chemical physics, biophysics, 19(11), 1997, pp. 1743-1748
Authors:
NEYMAN KM
NASLUZOV VA
HAHN J
LANDIS CR
ROSCH N
Citation: Km. Neyman et al., DENSITY-FUNCTIONAL STUDY OF N-2 ACTIVATION BY MOLYBDENUM(III) COMPLEXES - UNUSUALLY STRONG RELATIVISTIC EFFECTS IN 4D METAL-COMPOUNDS, Organometallics, 16(5), 1997, pp. 995-1000
Authors:
YUDANOV IV
NASLUZOV VA
NEYMAN KM
ROSCH N
Citation: Iv. Yudanov et al., DENSITY-FUNCTIONAL CLUSTER DESCRIPTION OF IONIC MATERIALS - IMPROVED BOUNDARY-CONDITIONS FOR MGO CLUSTERS WITH THE HELP OF CATION MODEL POTENTIALS, International journal of quantum chemistry, 65(5), 1997, pp. 975-986
Authors:
HAHN J
LANDIS CR
NASLUZOV VA
NEYMAN KM
ROSCH N
Citation: J. Hahn et al., STERIC EFFECTS ON DINITROGEN CLEAVAGE BY 3-COORDINATE MOLYBDENUM(III)COMPLEXES - A MOLECULAR MECHANICS STUDY, Inorganic chemistry, 36(18), 1997, pp. 3947-3951
Authors:
VOITYUK AA
ALBERT K
KOSTLMEIER S
NASLUZOV VA
NEYMAN KM
HOF P
HUBER R
ROMAO MJ
ROSCH N
Citation: Aa. Voityuk et al., PREDICTION OF ALTERNATIVE STRUCTURES OF THE MOLYBDENUM SITE IN THE XANTHINE OXIDASE-RELATED ALDEHYDE OXIDE REDUCTASE, Journal of the American Chemical Society, 119(13), 1997, pp. 3159-3160
Authors:
NEYMAN KM
NASLUZOV VA
ZHIDOMIROV GM
Citation: Km. Neyman et al., A DENSITY-FUNCTIONAL STUDY OF CO ADSORPTION ON 3-COORDINATE AND 5-COORDINATE AL IN OXIDE SYSTEMS, Catalysis letters, 40(3-4), 1996, pp. 183-188
Authors:
STAUFER M
NEYMAN KM
JAKOB P
NASLUZOV VA
MENZEL D
ROSCH N
Citation: M. Staufer et al., DENSITY-FUNCTIONAL AND INFRARED-SPECTROSCOPY STUDIES OF BONDING AND VIBRATIONS OF NH SPECIES ADSORBED ON THE RU(001) SURFACE - A REASSIGNMENT OF THE BENDING MODE BAND, Surface science, 369(1-3), 1996, pp. 300-312
Authors:
ROSCH N
NEYMAN KM
BIRKENHEUER U
KRUGER S
NASLUZOV VA
Citation: N. Rosch et al., DENSITY-FUNCTIONAL CLUSTER AND SLAB MODEL STUDIES OF CATALYSIS-RELEVANT ADSORPTION PHENOMENA ON METAL AND OXIDE SURFACES, Kinetics and catalysis, 37(5), 1996, pp. 651-660
Authors:
YAKOVLEV AL
NEYMAN KM
ZHIDOMIROV GM
ROSCH N
Citation: Al. Yakovlev et al., INTERACTION OF CO MOLECULES WITH ELECTRON-DEFICIENT PT ATOMS IN ZEOLITES - A DENSITY-FUNCTIONAL MODEL CLUSTER STUDY, Journal of physical chemistry, 100(9), 1996, pp. 3482-3487
Authors:
ALBERT K
NEYMAN KM
PACCHIONI G
ROSCH N
Citation: K. Albert et al., ELECTRONIC AND GEOMETRIC STRUCTURE OF BIMETALLIC CLUSTERS - DENSITY-FUNCTIONAL CALCULATIONS ON [M(4)(FE(CO)(4))(4)](4-) (M=CU, AG, AU) AND [AG-13(FE(CO)(4))(8)](N-) (N=0-5), Inorganic chemistry, 35(25), 1996, pp. 7370-7376
Authors:
YAKOVLEV AL
ZHIDOMIROV GM
NEYMAN KM
NASLUZOV VA
ROSCH N
Citation: Al. Yakovlev et al., ELECTRON-DEFICIENT PALLADIUM CLUSTERS IN ZEOLITES AND THEIR COMPLEXESWITH PROBE CO MOLECULES - A DENSITY-FUNCTIONAL MODEL CLUSTER STUDY, Berichte der Bunsengesellschaft fur Physikalische Chemie, 100(4), 1996, pp. 413-417
Authors:
NEYMAN KM
STRODEL P
RUZANKIN SP
SCHLENSOG N
KNOZINGER H
ROSCH N
Citation: Km. Neyman et al., N-2 AND CO MOLECULES AS PROBES OF ZEOLITE ACIDITY - AN INFRARED-SPECTROSCOPY AND DENSITY-FUNCTIONAL INVESTIGATION, Catalysis letters, 31(2-3), 1995, pp. 273-285
Authors:
NEYMAN KM
RUZANKIN SP
ROSCH N
Citation: Km. Neyman et al., ADSORPTION OF CO MOLECULES ON A MGO(001) SURFACE - MODEL CLUSTER DENSITY-FUNCTIONAL STUDY EMPLOYING A GRADIENT-CORRECTED POTENTIAL, Chemical physics letters, 246(6), 1995, pp. 546-554
Authors:
ALBERT K
NEYMAN KM
NASLUZOV VA
RUZANKIN SP
YERETZIAN CH
ROSCH N
Citation: K. Albert et al., ON THE ELECTRONIC AND GEOMETRIC STRUCTURE OF BIMETALLIC CLUSTERS - A COMPARISON OF THE NOVEL CLUSTER NA6PB TO NA6MG, Chemical physics letters, 245(6), 1995, pp. 671-678
Authors:
STRODEL P
NEYMAN KM
KNOZINGER H
ROSCH N
Citation: P. Strodel et al., ACIDIC PROPERTIES OF [AL], [GA] AND [FE] ISOMORPHOUSLY SUBSTITUTED ZEOLITES - DENSITY-FUNCTIONAL MODEL CLUSTER STUDY OF THE COMPLEXES WITH A PROBE CO MOLECULE, Chemical physics letters, 240(5-6), 1995, pp. 547-552
Authors:
PACCHIONI G
NEYMAN KM
ROSCH N
Citation: G. Pacchioni et al., CO ADSORPTION ON THE (001)-SURFACE OF MGO - A COMPARISON OF HARTREE-FOCK AND LOCAL-DENSITY FUNCTIONAL RESULTS, Journal of electron spectroscopy and related phenomena, 69(1), 1994, pp. 13-21
Authors:
NEYMAN KM
ROSCH N
Citation: Km. Neyman et N. Rosch, STRUCTURAL AND VIBRATIONAL PROPERTIES OF NI(111) NO ADSORPTION COMPLEXES - A LCGTO-LDF MODEL CLUSTER INVESTIGATION/, Surface science, 309, 1994, pp. 1193-1199
Authors:
NEYMAN KM
ROSCH N
KOSTOV KL
JAKOB P
MENZEL D
Citation: Km. Neyman et al., STRUCTURAL FEATURES OF THE NO RU(001) ADSORPTION COMPLEXES - A LINEARCOMBINATION OF GAUSSIAN-TYPE ORBITALS LOCAL-DENSITY FUNCTIONAL-MODEL CLUSTER-ANALYSIS OF HIGH-RESOLUTION ELECTRON-ENERGY-LOSS SPECTROSCOPY DATA/, The Journal of chemical physics, 100(3), 1994, pp. 2310-2321
Authors:
NEYMAN KM
ROSCH N
Citation: Km. Neyman et N. Rosch, BONDING AND VIBRATIONS OF CO MOLECULES ADSORBED AT TRANSITION-METAL IMPURITY SITES ON THE MGO(001) SURFACE - A DENSITY-FUNCTIONAL MODEL CLUSTER STUDY, Chemical physics, 177(2), 1993, pp. 561-570
Authors:
NEYMAN KM
ROSCH N
Citation: Km. Neyman et N. Rosch, BONDING AND VIBRATION OF CO MOLECULES ADSORBED ON LOW-COORDINATED SURFACE SITES OF MGO - A LCGTO-LDF CLUSTER INVESTIGATION, Surface science, 297(2), 1993, pp. 223-234
Authors:
NEYMAN KM
ROSCH N
Citation: Km. Neyman et N. Rosch, NEGATIVELY CHARGED MU-3-ON SPECIES ON AG(111) - A LCGTO-LDF CLUSTER-ANALYSIS OF HREELS DATA, Surface science, 287, 1993, pp. 64-68
Risultati:
1-25
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