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Results: 1-22 |
Results: 22
THEORETICAL-STUDY OF THE STRUCTURAL AND SPECTROSCOPIC PROPERTIES OF STELLACYANIN
Authors: DEKERPEL JOA PIERLOOT K RYDE U ROOS BO
Citation: Joa. Dekerpel et al., THEORETICAL-STUDY OF THE STRUCTURAL AND SPECTROSCOPIC PROPERTIES OF STELLACYANIN, JOURNAL OF PHYSICAL CHEMISTRY B, 102(23), 1998, pp. 4638-4647
ON THE RELATIVE STABILITY OF TETRAGONAL AND TRIGONAL CU(II) COMPLEXESWITH RELEVANCE TO THE BLUE COPPER PROTEINS
Authors: OLSSON MHM RYDE U ROOS BO PIERLOOT K
Citation: Mhm. Olsson et al., ON THE RELATIVE STABILITY OF TETRAGONAL AND TRIGONAL CU(II) COMPLEXESWITH RELEVANCE TO THE BLUE COPPER PROTEINS, JBIC. Journal of biological inorganic chemistry, 3(2), 1998, pp. 109-125
THE OPTICAL-ABSORPTION SPECTRUM OF THE OCTAHEDRAL RHCL63- COMPLEX - AB-INITIO CALCULATIONS OF EXCITATION-ENERGIES AND THE EFFECT OF SPIN-ORBIT-COUPLING
Authors: RIBBING C GILLIAMS B PIERLOOT K ROOS BO KARLSTROM G
Citation: C. Ribbing et al., THE OPTICAL-ABSORPTION SPECTRUM OF THE OCTAHEDRAL RHCL63- COMPLEX - AB-INITIO CALCULATIONS OF EXCITATION-ENERGIES AND THE EFFECT OF SPIN-ORBIT-COUPLING, The Journal of chemical physics, 109(8), 1998, pp. 3145-3152
B3LYP-DFT CHARACTERIZATION OF THE POTENTIAL-ENERGY SURFACE OF THE CH(X (2)PI)+C2H2 REACTION
Authors: VEREECKEN L PIERLOOT K PEETERS J
Citation: L. Vereecken et al., B3LYP-DFT CHARACTERIZATION OF THE POTENTIAL-ENERGY SURFACE OF THE CH(X (2)PI)+C2H2 REACTION, The Journal of chemical physics, 108(3), 1998, pp. 1068-1080
AB-INITIO CALCULATIONS OF THE TRIGONAL AND ZERO-FIELD SPLITTINGS IN TRISCHELATED DIKETONATO COMPLEXES OF TRIVALENT CHROMIUM
Authors: RIBBING C PIERLOOT K CEULEMANS A
Citation: C. Ribbing et al., AB-INITIO CALCULATIONS OF THE TRIGONAL AND ZERO-FIELD SPLITTINGS IN TRISCHELATED DIKETONATO COMPLEXES OF TRIVALENT CHROMIUM, Inorganic chemistry, 37(20), 1998, pp. 5227-5232
STABILIZATION OF PHOSPHINIDENES BY METAL COMPLEXATION - A THEORETICAL-STUDY OF CR(CO)(5)-PH
Authors: CREVE S PIERLOOT K NGUYEN MT
Citation: S. Creve et al., STABILIZATION OF PHOSPHINIDENES BY METAL COMPLEXATION - A THEORETICAL-STUDY OF CR(CO)(5)-PH, Chemical physics letters, 285(5-6), 1998, pp. 429-437
ON THE POSSIBILITY OF A PSEUDO ATOMIC GROUND-STATE FOR CRF2 - AB-INITIO AND CRYSTAL-FIELD CALCULATIONS INCLUDING SPIN-ORBIT-COUPLING
Authors: RIBBING C DUMEZ B CEULEMANS A PIERLOOT K
Citation: C. Ribbing et al., ON THE POSSIBILITY OF A PSEUDO ATOMIC GROUND-STATE FOR CRF2 - AB-INITIO AND CRYSTAL-FIELD CALCULATIONS INCLUDING SPIN-ORBIT-COUPLING, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(32), 1997, pp. 5813-5817
THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF PLASTOCYANIN
Authors: PIERLOOT K DEKERPEL JOA RYDE U ROOS BO
Citation: K. Pierloot et al., THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF PLASTOCYANIN, Journal of the American Chemical Society, 119(1), 1997, pp. 218-226
APPLICATIONS OF LEVEL SHIFT CORRECTED PERTURBATION-THEORY IN ELECTRONIC SPECTROSCOPY
Authors: ROOS BO ANDERSSON K FULSCHER MP SERRANOANDRES L PIERLOOT K MERCHAN M MOLINA V
Citation: Bo. Roos et al., APPLICATIONS OF LEVEL SHIFT CORRECTED PERTURBATION-THEORY IN ELECTRONIC SPECTROSCOPY, Journal of molecular structure. Theochem, 388, 1996, pp. 257-276
OPTICAL-SPECTRA OF NI(CO)(4) AND CR(CO)(6) REVISITED
Authors: PIERLOOT K TSOKOS E VANQUICKENBORNE LG
Citation: K. Pierloot et al., OPTICAL-SPECTRA OF NI(CO)(4) AND CR(CO)(6) REVISITED, Journal of physical chemistry, 100(41), 1996, pp. 16545-16550
THE CUPRIC GEOMETRY OF BLUE COPPER PROTEINS IS NOT STRAINED
Authors: RYDE U OLSSON MHM PIERLOOT K ROOS BO
Citation: U. Ryde et al., THE CUPRIC GEOMETRY OF BLUE COPPER PROTEINS IS NOT STRAINED, Journal of Molecular Biology, 261(4), 1996, pp. 586-596
EXCHANGE INTERACTIONS IN TI2CL93- - A CRITICAL ANALYSIS
Authors: CEULEMANS A HEYLEN GA CHIBOTARU LF MAES TL PIERLOOT K RIBBING C VANQUICKENBORNE LG
Citation: A. Ceulemans et al., EXCHANGE INTERACTIONS IN TI2CL93- - A CRITICAL ANALYSIS, Inorganica Chimica Acta, 251(1-2), 1996, pp. 15-27
A DENSITY-FUNCTIONAL STUDY OF THE STRUCTURE AND STABILITY OF CRF4, CRF5, AND CRF6
Authors: VANQUICKENBORNE LG VINCKIER AE PIERLOOT K
Citation: Lg. Vanquickenborne et al., A DENSITY-FUNCTIONAL STUDY OF THE STRUCTURE AND STABILITY OF CRF4, CRF5, AND CRF6, Inorganic chemistry, 35(5), 1996, pp. 1305-1309
DENSITY-MATRIX AVERAGED ATOMIC NATURAL ORBITAL (ANO) BASIS-SETS FOR CORRELATED MOLECULAR WAVE-FUNCTIONS .4. MEDIUM-SIZE BASIS-SETS FOR THE ATOMS H-KR
Authors: PIERLOOT K DUMEZ B WIDMARK PO ROOS BO
Citation: K. Pierloot et al., DENSITY-MATRIX AVERAGED ATOMIC NATURAL ORBITAL (ANO) BASIS-SETS FOR CORRELATED MOLECULAR WAVE-FUNCTIONS .4. MEDIUM-SIZE BASIS-SETS FOR THE ATOMS H-KR, Theoretica Chimica Acta, 90(2-3), 1995, pp. 87-114
THEORETICAL-STUDY OF THE CHEMICAL BONDING IN NI(C2H4) AND FERROCENE
Authors: PIERLOOT K PERSSON BJ ROOS BO
Citation: K. Pierloot et al., THEORETICAL-STUDY OF THE CHEMICAL BONDING IN NI(C2H4) AND FERROCENE, Journal of physical chemistry, 99(11), 1995, pp. 3465-3472
THE ELECTRONIC-STRUCTURE OF CR-2-4+ IN FLUORIDE HOST MATERIALS(,CR)
Authors: PIERLOOT K VANPRAET E VANQUICKENBORNE LG
Citation: K. Pierloot et al., THE ELECTRONIC-STRUCTURE OF CR-2-4+ IN FLUORIDE HOST MATERIALS(,CR), The Journal of chemical physics, 102(3), 1995, pp. 1164-1172
REACTION OF PHOSPHAETHENE WITH HYDROGEN ISOCYANIDE - [2+1] VERSUS [2+2] CYCLOADDITION
Authors: NGUYEN MT VANKEER A PIERLOOT K VANQUICKENBORNE LG
Citation: Mt. Nguyen et al., REACTION OF PHOSPHAETHENE WITH HYDROGEN ISOCYANIDE - [2+1] VERSUS [2+2] CYCLOADDITION, Journal of the American Chemical Society, 117(28), 1995, pp. 7535-7543
A THEORETICAL-STUDY OF THE CHEMICAL BONDING IN M(CO)(X) (M=CR, FE, AND NI)
Authors: PERSSON BJ ROOS BO PIERLOOT K
Citation: Bj. Persson et al., A THEORETICAL-STUDY OF THE CHEMICAL BONDING IN M(CO)(X) (M=CR, FE, AND NI), The Journal of chemical physics, 101(8), 1994, pp. 6810-6821
TRANSITION-METALS AND THE AUFBAU PRINCIPLE
Authors: VANQUICKENBORNE LG PIERLOOT K DEVOGHEL D
Citation: Lg. Vanquickenborne et al., TRANSITION-METALS AND THE AUFBAU PRINCIPLE, Journal of chemical education, 71(6), 1994, pp. 469-471
THEORETICAL-ANALYSIS OF THE LIGAND-FIELD SPECTRUM OF K3COF6
Authors: VANQUICKENBORNE LG PIERLOOT K DUYVEJONCK E
Citation: Lg. Vanquickenborne et al., THEORETICAL-ANALYSIS OF THE LIGAND-FIELD SPECTRUM OF K3COF6, Chemical physics letters, 224(1-2), 1994, pp. 207-212
SYSTEMATIC AB-INITIO STUDY OF THE LIGAND-FIELD SPECTRA OF HEXACYANOMETALATE COMPLEXES
Authors: PIERLOOT K VANPRAET E VANQUICKENBORNE LG ROOS BO
Citation: K. Pierloot et al., SYSTEMATIC AB-INITIO STUDY OF THE LIGAND-FIELD SPECTRA OF HEXACYANOMETALATE COMPLEXES, Journal of physical chemistry, 97(47), 1993, pp. 12220-12228
3P-3D INTERSHELL CORRELATION-EFFECTS IN TRANSITION-METAL IONS
Authors: PIERLOOT K TSOKOS E ROOS BO
Citation: K. Pierloot et al., 3P-3D INTERSHELL CORRELATION-EFFECTS IN TRANSITION-METAL IONS, Chemical physics letters, 214(6), 1993, pp. 583-590
Risultati: 1-22 |