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Results: 1-25/35
Authors:
NICHOLAS JB
XU T
HAW JF
Citation: Jb. Nicholas et al., NMR AND THEORETICAL-STUDIES OF SOLID ACIDS - SUPER AND OTHERWISE, Topics in catalysis, 6(1-4), 1998, pp. 141-149
Authors:
WANG LS
DING CF
WANG XB
NICHOLAS JB
NICHOLAS B
Citation: Ls. Wang et al., PROBING THE POTENTIAL BARRIERS AND INTRAMOLECULAR ELECTROSTATIC INTERACTIONS IN FREE DOUBLY-CHARGED ANIONS, Physical review letters, 81(13), 1998, pp. 2667-2670
Authors:
NICHOLAS JB
HAW JF
Citation: Jb. Nicholas et Jf. Haw, THE PREDICTION OF PERSISTENT CARBENIUM IONS IN ZEOLITES, Journal of the American Chemical Society, 120(45), 1998, pp. 11804-11805
Authors:
NICHOLAS JB
KHEIR AA
XU T
KRAWIETZ TR
HAW JF
Citation: Jb. Nicholas et al., THEORETICAL AND SOLID-STATE NMR-STUDY OF ACETYLENE ADSORPTION ON NANO-SIZED MGO, Journal of the American Chemical Society, 120(40), 1998, pp. 10471-10481
Authors:
XU T
BARICH DH
GOGUEN PW
SONG WG
WANG ZK
NICHOLAS JB
HAW JF
Citation: T. Xu et al., SYNTHESIS OF A BENZENIUM ION IN A ZEOLITE WITH USE OF A CATALYTIC FLOW REACTOR, Journal of the American Chemical Society, 120(16), 1998, pp. 4025-4026
Authors:
GOGUEN PW
XU T
BARICH DH
SKLOSS TW
SONG WG
WANG ZK
NICHOLAS JB
HAW JF
Citation: Pw. Goguen et al., PULSE-QUENCH CATALYTIC REACTOR STUDIES REVEAL A CARBON-POOL MECHANISMIN METHANOL-TO-GASOLINE CHEMISTRY ON ZEOLITE HZSM-5, Journal of the American Chemical Society, 120(11), 1998, pp. 2650-2651
Authors:
WHITE JC
NICHOLAS JB
HESS AC
Citation: Jc. White et al., PERIODIC HARTREE-FOCK CHARACTERIZATION OF THE STRUCTURE AND ELECTRONIC-PROPERTIES OF ZEOLITE NACAA, JOURNAL OF PHYSICAL CHEMISTRY B, 101(4), 1997, pp. 590-595
Authors:
LEE TY
RAGHAVENDRA CS
NICHOLAS JB
Citation: Ty. Lee et al., LOAD BALANCING STRATEGIES FOR RAY-TRACING ON PARALLEL PROCESSORS, Integrated computer-aided engineering, 4(4), 1997, pp. 260-275
Authors:
NICHOLAS JB
Citation: Jb. Nicholas, DENSITY-FUNCTIONAL THEORY STUDIES OF ZEOLITE STRUCTURE, ACIDITY, AND REACTIVITY, Topics in catalysis, 4(1-2), 1997, pp. 157-171
Authors:
WANG LS
NICHOLAS JB
DUPUIS M
WU HB
COLSON SD
Citation: Ls. Wang et al., SI3OY (Y=1-6) CLUSTERS - MODELS FOR OXIDATION OF SILICON SURFACES ANDDEFECT SITES IN BULK OXIDE MATERIALS, Physical review letters, 78(23), 1997, pp. 4450-4453
Authors:
HAW JF
XU T
NICHOLAS JB
GOGUEN PW
Citation: Jf. Haw et al., SOLVENT-ASSISTED PROTON-TRANSFER IN CATALYSIS BY ZEOLITE SOLID ACIDS, Nature, 389(6653), 1997, pp. 832-835
Authors:
LONG XP
NICHOLAS JB
GUEST MF
ORNSTEIN RL
Citation: Xp. Long et al., A COMBINED DENSITY-FUNCTIONAL THEORY MOLECULAR MECHANICS FORMALISM AND ITS APPLICATION TO SMALL WATER CLUSTERS, Journal of molecular structure, 412(1-2), 1997, pp. 121-133
Authors:
XU T
KOB N
DRAGO RS
NICHOLAS JB
HAW JF
Citation: T. Xu et al., A SOLID ACID CATALYST AT THE THRESHOLD OF SUPERACID STRENGTH - NMR, CALORIMETRY, AND DENSITY-FUNCTIONAL THEORY STUDIES OF SILICA-SUPPORTED ALUMINUM-CHLORIDE, Journal of the American Chemical Society, 119(50), 1997, pp. 12231-12239
Authors:
XU T
BARICH DH
TORRES PD
NICHOLAS JB
HAW JF
Citation: T. Xu et al., C-13 CHEMICAL-SHIFT TENSORS FOR ACYLIUM IONS - A COMBINED SOLID-STATENMR AND AB-INITIO MOLECULAR-ORBITAL STUDY, Journal of the American Chemical Society, 119(2), 1997, pp. 396-405
Authors:
LEE TY
RAGHAVENDRA CS
NICHOLAS JB
Citation: Ty. Lee et al., IMAGE COMPOSITION SCHEMES FOR SORT-LAST POLYGON RENDERING ON 2D MESH MULTICOMPUTERS, IEEE transactions on visualization and computer graphics, 2(3), 1996, pp. 202-217
Authors:
GUEST MF
APRA E
BERNHOLDT DE
FRUCHTL HA
HARRISON RJ
KENDALL RA
KUTTEH RA
LONG X
NICHOLAS JB
NICHOLS JA
TAYLOR HL
WONG AT
FANN GI
LITTLEFIELD RJ
NIEPLOCHA J
Citation: Mf. Guest et al., HIGH-PERFORMANCE COMPUTING IN CHEMISTRY - NW CHEM, Future generations computer systems, 12(4), 1996, pp. 273-289
Authors:
MCCARTHY MI
SCHENTER GK
SCAMEHORN CA
NICHOLAS JB
Citation: Mi. Mccarthy et al., STRUCTURE AND DYNAMICS OF THE WATER MGO INTERFACE/, Journal of physical chemistry, 100(42), 1996, pp. 16989-16995
Authors:
MARSHALL CL
NICHOLAS JB
BRAND H
CARRADO KA
WINANS RE
Citation: Cl. Marshall et al., AB-INITIO MOLECULAR-ORBITAL STUDY OF THE ACIDITY OF HYDRATED LITHIUM HYDROXIDE, Journal of physical chemistry, 100(39), 1996, pp. 15748-15752
Authors:
ZHAO QS
NICHOLAS JB
Citation: Qs. Zhao et Jb. Nicholas, TRANSITION-STATE OPTIMIZATION USING THE DIVIDE-AND-CONQUER METHOD - REACTION OF TRANS-2-BUTENE WITH HF, The Journal of chemical physics, 104(2), 1996, pp. 767-770
Authors:
NADA R
NICHOLAS JB
MCCARTHY MI
HESS AC
Citation: R. Nada et al., BASIS-SETS FOR AB-INITIO PERIODIC HARTREE-FOCK STUDIES OF ZEOLITE ADSORBATE INTERACTIONS - HE, NE, AND AR IN SILICA SODALITE/, International journal of quantum chemistry, 60(4), 1996, pp. 809-820
Authors:
NICHOLAS JB
XU T
BARICH DH
TORRES PD
HAW JF
Citation: Jb. Nicholas et al., C-13 CHEMICAL-SHIFT TENSOR OF THE ISOPROPYL CATION, Journal of the American Chemical Society, 118(17), 1996, pp. 4202-4203
Authors:
HAW JF
NICHOLAS JB
XU T
BECK LW
FERGUSON DB
Citation: Jf. Haw et al., PHYSICAL ORGANIC-CHEMISTRY OF SOLID ACIDS - LESSONS FROM IN-SITU NMR AND THEORETICAL CHEMISTRY, Accounts of chemical research, 29(6), 1996, pp. 259-267
Authors:
STAVE MS
NICHOLAS JB
Citation: Ms. Stave et Jb. Nicholas, DENSITY-FUNCTIONAL STUDIES OF ZEOLITES .2. STRUCTURE AND ACIDITY OF [T]-ZSM-5 MODELS (T=B, AL, GA, AND FE), Journal of physical chemistry, 99(41), 1995, pp. 15046-15061
Authors:
NICHOLAS JB
FEYEREISEN M
Citation: Jb. Nicholas et M. Feyereisen, AN EVALUATION OF CORRELATION-CONSISTENT BASIS-SETS IN CALCULATING THESTRUCTURE AND ENERGETICS OF (H2SI)(2)O, H3SIOH, AND H3SIO-, The Journal of chemical physics, 103(18), 1995, pp. 8031-8042
Authors:
NICHOLAS JB
FAN JW
WU HB
COLSON SD
WANG LS
Citation: Jb. Nicholas et al., A COMBINED DENSITY-FUNCTIONAL THEORETICAL AND PHOTOELECTRON SPECTROSCOPIC STUDY OF GE2O2, The Journal of chemical physics, 102(20), 1995, pp. 8277-8280