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Results: 1-25 | 26-36
Results: 1-25/36
DENSITY-FUNCTIONAL THEORY STUDY OF TRANSFORMATIONS OF NITROGEN-OXIDESCATALYZED BY CU-EXCHANGED ZEOLITES
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
ATMOSPHERIC CHEMISTRY OF THE PHENOXY RADICAL, C6H5O(CENTER-DOT) - UV SPECTRUM AND KINETICS OF ITS REACTION WITH NO, NO2, AND O-2
Authors: PLATZ J NIELSEN OJ WALLINGTON TJ BALL JC HURLEY MD STRACCIA AM SCHNEIDER WF SEHESTED J
Citation: J. Platz et al., ATMOSPHERIC CHEMISTRY OF THE PHENOXY RADICAL, C6H5O(CENTER-DOT) - UV SPECTRUM AND KINETICS OF ITS REACTION WITH NO, NO2, AND O-2, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(41), 1998, pp. 7964-7974
ATMOSPHERIC CHEMISTRY OF ACETONE - KINETIC-STUDY OF THE CH3C(O)CH2O2+NO NO2 REACTIONS AND DECOMPOSITION OF CH3C(O)CH2O2NO2/
Authors: SEHESTED J CHRISTENSEN LK NIELSEN OJ BILDE M WALLINGTON TJ SCHNEIDER WF ORLANDO JJ TYNDALL GS
Citation: J. Sehested et al., ATMOSPHERIC CHEMISTRY OF ACETONE - KINETIC-STUDY OF THE CH3C(O)CH2O2+NO NO2 REACTIONS AND DECOMPOSITION OF CH3C(O)CH2O2NO2/, International journal of chemical kinetics, 30(7), 1998, pp. 475-489
THE CHEMISTRY OF WATER ON ALUMINA SURFACES - REACTION DYNAMICS FROM FIRST PRINCIPLES (VOL 282, PG 265, 1998)
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
THE CHEMISTRY OF WATER ON ALUMINA SURFACES - REACTION DYNAMICS FROM FIRST PRINCIPLES
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
CU-DINITROSYL SPECIES IN ZEOLITES - A DENSITY-FUNCTIONAL MOLECULAR CLUSTER STUDY
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
FIRST-PRINCIPLES ANALYSIS OF ELEMENTARY STEPS IN THE CATALYTIC DECOMPOSITION OF NO BY CU-EXCHANGED ZEOLITES
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
THEORETICAL-STUDY OF CO AND NO VIBRATIONAL FREQUENCIES IN CU-WATER CLUSTERS AND IMPLICATIONS FOR CU-EXCHANGED ZEOLITES
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
ATMOSPHERIC CHEMISTRY OF HFE-7100 (C4F9OCH3) - REACTION WITH OH RADICALS, UV SPECTRA AND KINETIC DATA FOR C4F9OCH2-CENTER-DOT AND C4F9CH2O2-CENTER-DOT RADICALS, AND THE ATMOSPHERIC FATE OF C4F9OCH2O-CENTER-DOTRADICALS
Authors: WALLINGTON TJ SCHNEIDER WF SEHESTED J BILDE M PLATZ J NIELSEN OJ CHRISTENSEN LK MOLINA MJ MOLINA LT WOOLDRIDGE PW
Citation: Tj. Wallington et al., ATMOSPHERIC CHEMISTRY OF HFE-7100 (C4F9OCH3) - REACTION WITH OH RADICALS, UV SPECTRA AND KINETIC DATA FOR C4F9OCH2-CENTER-DOT AND C4F9CH2O2-CENTER-DOT RADICALS, AND THE ATMOSPHERIC FATE OF C4F9OCH2O-CENTER-DOTRADICALS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(44), 1997, pp. 8264-8274
SIMULATIONS OF HYDROCARBON ADSORPTION AND SUBSEQUENT WATER PENETRATION ON AN ALUMINUM-OXIDE SURFACE
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
NOVEL STRUCTURAL MODIFICATIONS ASSOCIATED WITH THE HIGHLY EFFICIENT INTERNAL-CONVERSION OF 2-(2'-HYDROXYPHENYL)BENZOTRIAZOLE ULTRAVIOLET STABILIZERS
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
KINETICS AND MECHANISM OF THE REACTION OF CL ATOMS WITH CH2CO (KETENE)
Authors: WALLINGTON TJ BALL JC STRACCIA AM HURLEY MD KAISER EW DILL M SCHNEIDER WF BILDE M
Citation: Tj. Wallington et al., KINETICS AND MECHANISM OF THE REACTION OF CL ATOMS WITH CH2CO (KETENE), International journal of chemical kinetics, 28(8), 1996, pp. 627-635
KINETICS AND MECHANISMS OF THE SELF-REACTIONS OF CCL3O2 AND CHCL2O2 RADICALS AND THEIR REACTIONS WITH HO2
Authors: CATOIRE V LESCLAUX R SCHNEIDER WF WALLINGTON TJ
Citation: V. Catoire et al., KINETICS AND MECHANISMS OF THE SELF-REACTIONS OF CCL3O2 AND CHCL2O2 RADICALS AND THEIR REACTIONS WITH HO2, Journal of physical chemistry, 100(34), 1996, pp. 14356-14371
RELIABILITY OF SMALL CLUSTER-MODELS FOR CU-EXCHANGED ZEOLITES
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
CLUSTER-MODELS OF CU BINDING AND CO AND NO ADSORPTION IN CU-EXCHANGEDZEOLITES
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
ENERGETICS AND MECHANISM OF DECOMPOSITION OF CF3OH
Authors: SCHNEIDER WF WALLINGTON TJ HUIE RE
Citation: Wf. Schneider et al., ENERGETICS AND MECHANISM OF DECOMPOSITION OF CF3OH, Journal of physical chemistry, 100(15), 1996, pp. 6097-6103
ACCOUNTING FOR ELECTRON-ELECTRON AND ELECTRON-LATTICE EFFECTS IN CONJUGATED CHAINS AND RINGS
Authors: ROSSI G SCHNEIDER WF
Citation: G. Rossi et Wf. Schneider, ACCOUNTING FOR ELECTRON-ELECTRON AND ELECTRON-LATTICE EFFECTS IN CONJUGATED CHAINS AND RINGS, The Journal of chemical physics, 104(23), 1996, pp. 9511-9527
DENSITY-FUNCTIONAL THEORY DESCRIPTION OF EXCITED-STATE INTRAMOLECULARPROTON-TRANSFER
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
ATMOSPHERIC CHEMISTRY OF CH3CL - MECHANISTIC STUDY OF THE REACTION OFCH2CLO2 RADICALS WITH HO2
Authors: WALLINGTON TJ HURLEY MD SCHNEIDER WF
Citation: Tj. Wallington et al., ATMOSPHERIC CHEMISTRY OF CH3CL - MECHANISTIC STUDY OF THE REACTION OFCH2CLO2 RADICALS WITH HO2, Chemical physics letters, 251(3-4), 1996, pp. 164-173
HYDROFLUOROCARBONS AND STRATOSPHERIC OZONE
Authors: WALLINGTON TJ SCHNEIDER WF SEHESTED J NIELSEN OJ
Citation: Tj. Wallington et al., HYDROFLUOROCARBONS AND STRATOSPHERIC OZONE, Faraday discussions, (100), 1995, pp. 55-64
ATMOSPHERIC CHEMISTRY OF FCOX RADICALS - KINETIC AND MECHANISTIC STUDY OF THE FC(O)O-2+NO2 REACTION
Authors: WALLINGTON TJ SCHNEIDER WF MOGELBERG TE NIELSEN OJ SEHESTED J
Citation: Tj. Wallington et al., ATMOSPHERIC CHEMISTRY OF FCOX RADICALS - KINETIC AND MECHANISTIC STUDY OF THE FC(O)O-2+NO2 REACTION, International journal of chemical kinetics, 27(4), 1995, pp. 391-402
ATMOSPHERIC CHEMISTRY OF FNO AND FNO2 - REACTIONS OF FNO WITH O-3, O(P-3), HO2, AND HCL AND THE REACTION OF FNO2 WITH O-3
Authors: WALLINGTON TJ SCHNEIDER WF SZENTE JJ MARICQ MM NIELSEN OJ SEHESTED J
Citation: Tj. Wallington et al., ATMOSPHERIC CHEMISTRY OF FNO AND FNO2 - REACTIONS OF FNO WITH O-3, O(P-3), HO2, AND HCL AND THE REACTION OF FNO2 WITH O-3, Journal of physical chemistry, 99(3), 1995, pp. 984-989
AB-INITIO STUDY OF THE ABSTRACTION REACTIONS OF CF3O
Authors: SCHNEIDER WF WALLINGTON TJ
Citation: Wf. Schneider et Tj. Wallington, AB-INITIO STUDY OF THE ABSTRACTION REACTIONS OF CF3O, Journal of physical chemistry, 99(12), 1995, pp. 4353-4353
THE VIBRATIONAL-SPECTRUM OF FC(O)O RADICAL - A CHALLENGING CASE FOR SINGLE-REFERENCE ELECTRON CORRELATION METHODS
Authors: SCHNEIDER WF MARICQ MM FRANCISCO JS
Citation: Wf. Schneider et al., THE VIBRATIONAL-SPECTRUM OF FC(O)O RADICAL - A CHALLENGING CASE FOR SINGLE-REFERENCE ELECTRON CORRELATION METHODS, The Journal of chemical physics, 103(15), 1995, pp. 6601-6607
ATMOSPHERIC CHEMISTRY OF CF3OH - IS PHOTOLYSIS IMPORTANT
Authors: SCHNEIDER WF WALLINGTON TJ MINSCHWANER K STAHLBERG EA
Citation: Wf. Schneider et al., ATMOSPHERIC CHEMISTRY OF CF3OH - IS PHOTOLYSIS IMPORTANT, Environmental science & technology, 29(1), 1995, pp. 247-250
Risultati: 1-25 | 26-36