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Results:
1-20
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Results: 20
Authors:
SCHNEIDER WF
HASS KC
RAMPRASAD R
ADAMS JB
Citation: Wf. Schneider et al., DENSITY-FUNCTIONAL THEORY STUDY OF TRANSFORMATIONS OF NITROGEN-OXIDESCATALYZED BY CU-EXCHANGED ZEOLITES, JOURNAL OF PHYSICAL CHEMISTRY B, 102(19), 1998, pp. 3692-3705
Authors:
WEBER WH
GRAHAM GW
CHEN AE
HASS KC
CHAMBERLAND BL
Citation: Wh. Weber et al., MICRO-RAMAN STUDY OF NAXPT3O4 CRYSTALS, Solid state communications, 106(2), 1998, pp. 95-100
Authors:
HASS KC
SCHNEIDER WF
CURIONI A
ANDREONI W
Citation: Kc. Hass et al., THE CHEMISTRY OF WATER ON ALUMINA SURFACES - REACTION DYNAMICS FROM FIRST PRINCIPLES (VOL 282, PG 265, 1998), Science, 282(5390), 1998, pp. 882-882
Authors:
HASS KC
SCHNEIDER WF
CURIONI A
ANDREONI W
Citation: Kc. Hass et al., THE CHEMISTRY OF WATER ON ALUMINA SURFACES - REACTION DYNAMICS FROM FIRST PRINCIPLES, Science, 282(5387), 1998, pp. 265-268
Authors:
RAMPRASAD R
HASS KC
SCHNEIDER WF
ADAMS JB
Citation: R. Ramprasad et al., CU-DINITROSYL SPECIES IN ZEOLITES - A DENSITY-FUNCTIONAL MOLECULAR CLUSTER STUDY, JOURNAL OF PHYSICAL CHEMISTRY B, 101(35), 1997, pp. 6903-6913
Authors:
SCHNEIDER WF
HASS KC
RAMPRASAD R
ADAMS JB
Citation: Wf. Schneider et al., FIRST-PRINCIPLES ANALYSIS OF ELEMENTARY STEPS IN THE CATALYTIC DECOMPOSITION OF NO BY CU-EXCHANGED ZEOLITES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(22), 1997, pp. 4353-4357
Authors:
RAMPRASAD R
SCHNEIDER WF
HASS KC
ADAMS JB
Citation: R. Ramprasad et al., THEORETICAL-STUDY OF CO AND NO VIBRATIONAL FREQUENCIES IN CU-WATER CLUSTERS AND IMPLICATIONS FOR CU-EXCHANGED ZEOLITES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(11), 1997, pp. 1940-1949
Authors:
DESAINTECLAIRE P
HASS KC
SCHNEIDER WF
HASE WL
Citation: P. Desainteclaire et al., SIMULATIONS OF HYDROCARBON ADSORPTION AND SUBSEQUENT WATER PENETRATION ON AN ALUMINUM-OXIDE SURFACE, The Journal of chemical physics, 106(17), 1997, pp. 7331-7342
Authors:
ESTEVEZ CM
BACH RD
HASS KC
SCHNEIDER WF
Citation: Cm. Estevez et al., NOVEL STRUCTURAL MODIFICATIONS ASSOCIATED WITH THE HIGHLY EFFICIENT INTERNAL-CONVERSION OF 2-(2'-HYDROXYPHENYL)BENZOTRIAZOLE ULTRAVIOLET STABILIZERS, Journal of the American Chemical Society, 119(23), 1997, pp. 5445-5446
Authors:
HASS KC
TSAI MH
KASOWSKI RV
Citation: Kc. Hass et al., MAGNETIC CONSEQUENCES OF NO CHEMISORPTION ON (100) METAL-SURFACES, Physical review. B, Condensed matter, 53(1), 1996, pp. 44-47
Authors:
HASS KC
SCHNEIDER WF
Citation: Kc. Hass et Wf. Schneider, RELIABILITY OF SMALL CLUSTER-MODELS FOR CU-EXCHANGED ZEOLITES, Journal of physical chemistry, 100(22), 1996, pp. 9292-9301
Authors:
SCHNEIDER WF
HASS KC
RAMPRASAD R
ADAMS JB
Citation: Wf. Schneider et al., CLUSTER-MODELS OF CU BINDING AND CO AND NO ADSORPTION IN CU-EXCHANGEDZEOLITES, Journal of physical chemistry, 100(15), 1996, pp. 6032-6046
Authors:
HASS KC
SCHNEIDER WF
ESTEVEZ CM
BACH RD
Citation: Kc. Hass et al., DENSITY-FUNCTIONAL THEORY DESCRIPTION OF EXCITED-STATE INTRAMOLECULARPROTON-TRANSFER, Chemical physics letters, 263(3-4), 1996, pp. 414-422
Authors:
SONG KY
DESAINTECLAIRE P
HASE WL
HASS KC
Citation: Ky. Song et al., COMPARISON OF MOLECULAR-DYNAMICS AND VARIATIONAL TRANSITION-STATE-THEORY CALCULATIONS OF THE RATE-CONSTANT FOR H-ATOM ASSOCIATION WITH THE DIAMOND (111) SURFACE, Physical review. B, Condensed matter, 52(4), 1995, pp. 2949-2958
Authors:
TSAI MH
HASS KC
Citation: Mh. Tsai et Kc. Hass, EXTENSION OF A LOCAL-ORBITAL DENSITY-FUNCTIONAL METHOD TO TRANSITION-METALS - APPLICATION TO PT(110) SURFACE RELAXATION, Physical review. B, Condensed matter, 52(23), 1995, pp. 16420-16427
Authors:
TSAI MH
HASS KC
Citation: Mh. Tsai et Kc. Hass, FIRST-PRINCIPLES STUDIES OF NO CHEMISORPTION ON RHODIUM, PALLADIUM, AND PLATINUM SURFACES, Physical review. B, Condensed matter, 51(20), 1995, pp. 14616-14625
Authors:
WINDL W
KARCH K
PAVONE P
SCHUTT O
STRAUCH D
WEBER WH
HASS KC
RIMAI L
Citation: W. Windl et al., 2ND-ORDER RAMAN-SPECTRA OF SIC - EXPERIMENTAL AND THEORETICAL RESULTSFROM AB-INITIO PHONON CALCULATIONS, Physical review. B, Condensed matter, 49(13), 1994, pp. 8764-8767
Authors:
MCBRIDE JR
HASS KC
POINDEXTER BD
WEBER WH
Citation: Jr. Mcbride et al., RAMAN AND X-RAY STUDIES OF CE1-XREXO2-Y, WHERE RE=LA, PR, ND, EU, GD,AND TB, Journal of applied physics, 76(4), 1994, pp. 2435-2441
Authors:
HASS KC
Citation: Kc. Hass, COMPUTER-SIMULATIONS OF NONEQUILIBRIUM STRUCTURE FORMATION IN ELECTRORHEOLOGICAL FLUIDS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 47(5), 1993, pp. 3362-3373
Authors:
ACCARY C
BARBARAT P
HASE WL
HASS KC
Citation: C. Accary et al., IMPORTANCE OF ENERGY-TRANSFER AND LATTICE PROPERTIES IN H-ATOM ASSOCIATION WITH THE (111) SURFACE OF DIAMOND, Journal of physical chemistry, 97(39), 1993, pp. 9934-9941
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