AAAAAA
Results:
1-20
|
Results: 20
Authors:
Cundari, TR
Deng, J
Zhao, Y
Citation: Tr. Cundari et al., Design of a propane ammoxidation catalyst using artificial neural networksand genetic algorithms, IND ENG RES, 40(23), 2001, pp. 5475-5480
Authors:
Decker, SA
Cundari, TR
Citation: Sa. Decker et Tr. Cundari, DFT study of the ethylene hydroformylation catalytic cycle employing a HRh(PH3)(2)(CO) model catalyst, ORGANOMETAL, 20(13), 2001, pp. 2827-2841
Authors:
Cao, M
Do, LV
Hoffman, NW
Kwan, ML
Little, JK
McGilvray, JM
Morris, CB
Soderberg, BC
Wierzbicki, A
Cundari, TR
Lake, CH
Valente, EJ
Citation: M. Cao et al., Kinetics of substitution of weakly coordinating nitrate by chloride in (eta(5)-Cp)Ru(CO)(ER3)ONO2 (ER3 = AsPh3, PPh3, P(p-anisyl)(3), PPh2(o-anisyl),P(OPh)(3)) in dichloromethane, ORGANOMETAL, 20(11), 2001, pp. 2270-2279
Authors:
Cundari, TR
Russo, M
Citation: Tr. Cundari et M. Russo, Database mining using soft computing techniques. An integrated neural network-fuzzy logic-genetic algorithm approach, J CHEM INF, 41(2), 2001, pp. 281-287
Authors:
Cundari, TR
Kurtz, HA
Zhou, T
Citation: Tr. Cundari et al., Modeling intermolecular effects on nonlinear optical properties of transition-metal complexes. An effective core potential study, J CHEM INF, 41(1), 2001, pp. 38-42
Authors:
Decker, SA
Cundari, TR
Citation: Sa. Decker et Tr. Cundari, Hybrid QM/MM study of propene insertion into the Rh-H bond of HRh(PPh3)(2)(CO)(eta(2)-CH2=CHCH3): the role of the olefin adduct in determining product selectivity, J ORGMET CH, 635(1-2), 2001, pp. 132-141
Authors:
Nave, PM
Draganjac, M
Ward, B
Cordes, AW
Barclay, TM
Cundari, TR
Carbo, JJ
Maseras, F
Citation: Pm. Nave et al., Synthesis, molecular structure and computational study of a ruthenium bis(thietane) complex, INORG CHIM, 316(1-2), 2001, pp. 13-18
Authors:
Smith, JM
Lachicotte, RJ
Pittard, KA
Cundari, TR
Lukat-Rodgers, G
Rodgers, KR
Holland, PL
Citation: Jm. Smith et al., Stepwise reduction of dinitrogen bond order by a low-coordinate iron complex, J AM CHEM S, 123(37), 2001, pp. 9222-9223
Authors:
Veige, AS
Slaughter, LM
Wolczanski, PT
Matsunaga, N
Decker, SA
Cundari, TR
Citation: As. Veige et al., Deoxygenations of (silox)(3)WNO and R3PO by (silox)(3)M (M = V, Ta) and (silox)(3)NbL (silox = (Bu3SiO)-Bu-t): Consequences of electronic effects, J AM CHEM S, 123(26), 2001, pp. 6419-6420
Authors:
Cundari, TR
Citation: Tr. Cundari, Computational organometallic chemistry - Introduction, COMPUTATIONAL ORGANOMETALLIC CHEMISTRY, 2001, pp. 1-5
Authors:
Cundari, TR
Kurtz, HA
Zhou, T
Citation: Tr. Cundari et al., Computational study of polarizabilities and second hyperpolarizabilities of inorganic transition metal thiometalates and metalates in solution, J PHYS CH A, 104(20), 2000, pp. 4711-4717
Authors:
Cundari, TR
Deng, J
Pop, HF
Sarbu, C
Citation: Tr. Cundari et al., Structural analysis of transition metal beta-X substituent interactions. Toward the use of soft computing methods for catalyst modeling, J CHEM INF, 40(4), 2000, pp. 1052-1061
Authors:
Cundari, TR
Deng, J
Fu, WT
Citation: Tr. Cundari et al., PM3(tm) parameterization using genetic algorithms, INT J QUANT, 77(1), 2000, pp. 421-432
Authors:
Cundari, TR
Fu, WT
Citation: Tr. Cundari et Wt. Fu, Genetic algorithm optimization of a molecular mechanics force field for technetium, INORG CHIM, 300, 2000, pp. 113-124
Authors:
Cundari, TR
Harvey, JN
Klinckman, TR
Fu, WF
Citation: Tr. Cundari et al., Multiple bonding involving late transition metals. The case of a silver-oxo complex. (vol 38, pg 5611, 1999), INORG CHEM, 39(6), 2000, pp. 1336-1336
Authors:
Cundari, TR
Citation: Tr. Cundari, Computational studies of transition metal - Main group multiple bonding, CHEM REV, 100(2), 2000, pp. 807-818
Authors:
Slaughter, LM
Wolczanski, PT
Klinckman, TR
Cundari, TR
Citation: Lm. Slaughter et al., Inter- and intramolecular experimental and calculated equilibrium isotope effects for (silox)(2)((Bu3SiND)-Bu-t)TiR+RH (silox = (Bu3SiO)-Bu-t): Inferred kinetic isotope effects for RH/D addition to transient (silox)(2)Ti=(NSBu3)-Bu-t, J AM CHEM S, 122(33), 2000, pp. 7953-7975
Authors:
Cundari, TR
Kurtz, HA
Zhou, T
Citation: Tr. Cundari et al., Modeling nonlinear optical properties of inorganic complexes. Counterion effects, CHEM PHYS, 240(1-2), 1999, pp. 205-214
Authors:
Cundari, TR
Deng, J
Citation: Tr. Cundari et J. Deng, PM3(tm) analysis of transition-metal complexes, J CHEM INF, 39(2), 1999, pp. 376-381
Authors:
Cundari, TR
Harvey, JN
Klinckman, TR
Fu, WT
Citation: Tr. Cundari et al., Multiple bonding involving late transition metals. The case of a silver-oxo complex, INORG CHEM, 38(24), 1999, pp. 5611-5615
Risultati:
1-20
|