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Results:
1-17
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Results: 17
Authors:
Delabie, A
Cielen, E
Boens, N
Pierloot, K
Citation: A. Delabie et al., Density functional study of fluorescent indicators for the intracellular determination of Ca2+ and Mg2+, J CHEM S P2, (4), 2001, pp. 468-475
Authors:
Pierloot, K
Delabie, A
Groothaert, MH
Schoonheydt, RA
Citation: K. Pierloot et al., A reinterpretation of the EPR spectra of Cu(II) in zeolites A, Y and ZK4, based on ab initio cluster model calculations, PHYS CHEM P, 3(11), 2001, pp. 2174-2183
Authors:
Delabie, A
Vinckier, C
Flock, M
Pierloot, K
Citation: A. Delabie et al., Evaluating the activation barriers for transition metal N2O reactions, J PHYS CH A, 105(22), 2001, pp. 5479-5485
Authors:
Hasegawa, JY
Pierloot, K
Roos, BO
Citation: Jy. Hasegawa et al., Ground state structure of CuO2: a CASPT2 study, CHEM P LETT, 335(5-6), 2001, pp. 503-509
Authors:
Pierloot, K
Citation: K. Pierloot, Nondynamic correlation effects in transition metal coordination compounds, COMPUTATIONAL ORGANOMETALLIC CHEMISTRY, 2001, pp. 123-158
Authors:
Delabie, A
Pierloot, K
Groothaert, MH
Weckhuysen, BM
Schoonheydt, RA
Citation: A. Delabie et al., Study of the coordination of Cu2+ in zeolite Y: Interaction with water andammonia, MICROP M M, 37(1-2), 2000, pp. 209-222
Authors:
Pierloot, K
Ceulemans, A
Merchan, M
Serrano-Andres, L
Citation: K. Pierloot et al., Electronic spectra of the cyclometalated complexes M(2-thienylpyridine)(2)with M = Pd, Pt: A theoretical study, J PHYS CH A, 104(19), 2000, pp. 4374-4382
Authors:
Flock, M
Pierloot, K
Nguyen, MT
Vanquickenborne, LG
Citation: M. Flock et al., p-phenylbisphosphinidene and its carbene and nitrene analogues: An ab initio study, J PHYS CH A, 104(17), 2000, pp. 4022-4029
Authors:
Ryde, U
Olsson, MHM
Roos, BO
De Kerpel, JOA
Pierloot, K
Citation: U. Ryde et al., On the role of strain in blue copper proteins, J BIOL I CH, 5(5), 2000, pp. 565-574
Authors:
Ceulemans, A
Chibotaru, LF
Heylen, GA
Pierloot, K
Vanquickenborne, LG
Citation: A. Ceulemans et al., Theoretical models of exchange interactions in dimeric transition-metal complexes, CHEM REV, 100(2), 2000, pp. 787-806
Authors:
De Kerpel, JOA
Pierloot, K
Ryde, U
Citation: Joa. De Kerpel et al., Geometric and electronic structure of Co(II)-substituted azurin, J PHYS CH B, 103(39), 1999, pp. 8375-8382
Authors:
Creve, S
Pierloot, K
Nguyen, MT
Vanquickenborne, LG
Citation: S. Creve et al., Phosphinidene transition metal complexes: A combined ab initio MO-DFT study of Cr(CO)(5)-PR, EUR J INORG, (1), 1999, pp. 107-115
Authors:
Flock, M
Pierloot, K
Citation: M. Flock et K. Pierloot, Theoretical study of the interconversion of O-2-binding dicopper complexes, J PHYS CH A, 103(1), 1999, pp. 95-102
Authors:
Ceulemans, A
Chibotaru, LF
Heylen, GA
Pierloot, K
Citation: A. Ceulemans et al., Exchange interactions in Ti2Cl93- and the magnetic susceptibility tensor, MOLEC PHYS, 97(11), 1999, pp. 1197-1202
Authors:
Ribbing, C
Gilliams, B
Ceulemans, A
Pierloot, K
Vandenbroucke, D
Roos, BO
Citation: C. Ribbing et al., Spectroscopy, resolution, and ab initio calculation of vibronic fine structure in the optical absorption of Rh(III) doped in NaCl, J CHEM PHYS, 110(14), 1999, pp. 6849-6857
Authors:
Pierloot, K
Delabie, A
Ribbing, C
Verberckmoes, AA
Schoonheydt, RA
Citation: K. Pierloot et al., Theoretical study of the structure and spectroscopic properties of cobalt(II) coordinated to six-rings in zeolites, J PHYS CH B, 102(52), 1998, pp. 10789-10798
Authors:
Pierloot, K
De Kerpel, JOA
Ryde, U
Olsson, MHM
Roos, BO
Citation: K. Pierloot et al., Relation between the structure and spectroscopic properties of blue copperproteins, J AM CHEM S, 120(50), 1998, pp. 13156-13166
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