AAAAAA

   
Results: 1-21 |
Results: 21
THEORETICAL-STUDY OF THE CRYSTAL-FIELD EXCITATIONS IN COO
Authors: DEGRAAF C DEJONG WA BROER R NIEUWPOORT WC
Citation: C. Degraaf et al., THEORETICAL-STUDY OF THE CRYSTAL-FIELD EXCITATIONS IN COO, Chemical physics, 237(1-2), 1998, pp. 59-65
RELATIVISTIC AND CORRELATION-EFFECTS ON MOLECULAR-PROPERTIES - THE INTERHALOGENS CLF, BRF, BRCL, IF, ICL, AND IBR
Authors: DEJONG WA STYSZYNSKI J VISSCHER L NIEUWPOORT WC
Citation: Wa. Dejong et al., RELATIVISTIC AND CORRELATION-EFFECTS ON MOLECULAR-PROPERTIES - THE INTERHALOGENS CLF, BRF, BRCL, IF, ICL, AND IBR, The Journal of chemical physics, 108(13), 1998, pp. 5177-5184
THOLE,THEO, AN UNUSUAL MAN
Authors: NIEUWPOORT WC
Citation: Wc. Nieuwpoort, THOLE,THEO, AN UNUSUAL MAN, Journal of electron spectroscopy and related phenomena, 86(1-3), 1997, pp. 9-12
CHARGE-TRANSFER AND RELATIVISTIC EFFECTS IN THE LOW-LYING ELECTRONIC STATES OF CUCL, CUBR AND CUI
Authors: SOUSA C DEJONG WA BROER R NIEUWPOORT WC
Citation: C. Sousa et al., CHARGE-TRANSFER AND RELATIVISTIC EFFECTS IN THE LOW-LYING ELECTRONIC STATES OF CUCL, CUBR AND CUI, Molecular physics, 92(4), 1997, pp. 677-686
RELATIVISTIC AND CORRELATED CALCULATIONS ON THE GROUND, EXCITED, AND IONIZED STATES OF IODINE
Authors: DEJONG WA VISSCHER L NIEUWPOORT WC
Citation: Wa. Dejong et al., RELATIVISTIC AND CORRELATED CALCULATIONS ON THE GROUND, EXCITED, AND IONIZED STATES OF IODINE, The Journal of chemical physics, 107(21), 1997, pp. 9046-9058
ON THE MAGNETIC COUPLING IN NIO
Authors: DEGRAAF C ILLAS F BROER R NIEUWPOORT WC
Citation: C. Degraaf et al., ON THE MAGNETIC COUPLING IN NIO, The Journal of chemical physics, 106(8), 1997, pp. 3287-3291
THEORETICAL CHARACTERIZATION OF THE LOW-LYING EXCITED-STATES OF THE CUCL MOLECULE
Authors: SOUSA C DEJONG WA BROER R NIEUWPOORT WC
Citation: C. Sousa et al., THEORETICAL CHARACTERIZATION OF THE LOW-LYING EXCITED-STATES OF THE CUCL MOLECULE, The Journal of chemical physics, 106(17), 1997, pp. 7162-7169
ON THE ROLE OF RELAXED CHARGE-TRANSFER EXCITATIONS - NI 3S HOLE STATES IN NIO
Authors: DEGRAAF C BROER R NIEUWPOORT WC BAGUS PS
Citation: C. Degraaf et al., ON THE ROLE OF RELAXED CHARGE-TRANSFER EXCITATIONS - NI 3S HOLE STATES IN NIO, Chemical physics letters, 272(5-6), 1997, pp. 341-346
COMPARISON OF THE SUPEREXCHANGE INTERACTION IN NIO AND IN A NIO[100] SURFACE
Authors: DEGRAAF C BROER R NIEUWPOORT WC
Citation: C. Degraaf et al., COMPARISON OF THE SUPEREXCHANGE INTERACTION IN NIO AND IN A NIO[100] SURFACE, Chemical physics letters, 271(4-6), 1997, pp. 372-376
HARTREE-FOCK STUDY ON THE LOWER EXCITED-STATES OF A CU+ IMPURITY IN NAF USING LARGE EMBEDDED CLUSTERS
Authors: LINKER GJ BROER R NIEUWPOORT WC
Citation: Gj. Linker et al., HARTREE-FOCK STUDY ON THE LOWER EXCITED-STATES OF A CU+ IMPURITY IN NAF USING LARGE EMBEDDED CLUSTERS, Journal of electron spectroscopy and related phenomena, 77(2), 1996, pp. 143-148
ELECTRON CORRELATION-EFFECTS ON THE D-D EXCITATIONS IN NIO
Authors: DEGRAAF C BROER R NIEUWPOORT WC
Citation: C. Degraaf et al., ELECTRON CORRELATION-EFFECTS ON THE D-D EXCITATIONS IN NIO, Chemical physics, 208(1), 1996, pp. 35-43
RELATIVISTIC AND CORRELATION-EFFECTS ON MOLECULAR-PROPERTIES .2. THE HYDROGEN HALIDES HF, HCL, HBR, HI, AND HAT
Authors: VISSCHER L STYSZYNSKI J NIEUWPOORT WC
Citation: L. Visscher et al., RELATIVISTIC AND CORRELATION-EFFECTS ON MOLECULAR-PROPERTIES .2. THE HYDROGEN HALIDES HF, HCL, HBR, HI, AND HAT, The Journal of chemical physics, 105(5), 1996, pp. 1987-1994
RELATIVITY AND THE CHEMISTRY OF UF6 - A MOLECULAR DIRAC-HARTREE-FOCK-CI STUDY
Authors: DEJONG WA NIEUWPOORT WC
Citation: Wa. Dejong et Wc. Nieuwpoort, RELATIVITY AND THE CHEMISTRY OF UF6 - A MOLECULAR DIRAC-HARTREE-FOCK-CI STUDY, International journal of quantum chemistry, 58(2), 1996, pp. 203-216
HEISENBERG EXCHANGE ENHANCEMENT BY ORBITAL RELAXATION IN CUPRATE COMPOUNDS
Authors: VANOOSTEN AB BROER R NIEUWPOORT WC
Citation: Ab. Vanoosten et al., HEISENBERG EXCHANGE ENHANCEMENT BY ORBITAL RELAXATION IN CUPRATE COMPOUNDS, Chemical physics letters, 257(1-2), 1996, pp. 207-212
HEISENBERG EXCHANGE IN LA2CUO4
Authors: VANOOSTEN AB BROER R NIEUWPOORT WC
Citation: Ab. Vanoosten et al., HEISENBERG EXCHANGE IN LA2CUO4, International journal of quantum chemistry, 1995, pp. 241-243
ELECTRON CORRELATION-EFFECTS ON THE F(6)-MANIFOLD OF THE EU3+ IMPURITY IN BA2GDNBO6
Authors: DIJKSTRA F DEJONG WA NIEUWPOORT WC
Citation: F. Dijkstra et al., ELECTRON CORRELATION-EFFECTS ON THE F(6)-MANIFOLD OF THE EU3+ IMPURITY IN BA2GDNBO6, International journal of quantum chemistry, 1995, pp. 609-613
THE LOWER EXCITED-STATES OF A CU- LOCALIZED OR NOT( IMPURITY IN NAF )
Authors: BROER R NIEUWPOORT WC VANDERWAALS JH
Citation: R. Broer et al., THE LOWER EXCITED-STATES OF A CU- LOCALIZED OR NOT( IMPURITY IN NAF ), Journal of electron spectroscopy and related phenomena, 69(1), 1994, pp. 73-79
RELATIVISTIC AND ELECTRON CORRELATION-EFFECTS ON THE D-D SPECTRUM OF TRANSITION-METAL FLUORIDES
Authors: VISSCHER L NIEUWPOORT WC
Citation: L. Visscher et Wc. Nieuwpoort, RELATIVISTIC AND ELECTRON CORRELATION-EFFECTS ON THE D-D SPECTRUM OF TRANSITION-METAL FLUORIDES, Theoretica Chimica Acta, 88(6), 1994, pp. 447-472
RELATIVISTIC QUANTUM-CHEMISTRY - THE MOLFDIR PROGRAM PACKAGE
Authors: VISSCHER L VISSER O AERTS PJC MERENGA H NIEUWPOORT WC
Citation: L. Visscher et al., RELATIVISTIC QUANTUM-CHEMISTRY - THE MOLFDIR PROGRAM PACKAGE, Computer physics communications, 81(1-2), 1994, pp. 120-144
A NEW CONFIGURATION SELECTION METHOD FOR CONFIGURATION-INTERACTION CALCULATIONS
Authors: VISSCHER L DERAEDT H NIEUWPOORT WC
Citation: L. Visscher et al., A NEW CONFIGURATION SELECTION METHOD FOR CONFIGURATION-INTERACTION CALCULATIONS, Chemical physics letters, 227(3), 1994, pp. 327-336
THE ELECTRONIC-STRUCTURE OF THE PTH MOLECULE - FULLY RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS OF THE GROUND AND EXCITED-STATES
Authors: VISSCHER L SAUE T NIEUWPOORT WC FAEGRI K GROPEN O
Citation: L. Visscher et al., THE ELECTRONIC-STRUCTURE OF THE PTH MOLECULE - FULLY RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS OF THE GROUND AND EXCITED-STATES, The Journal of chemical physics, 99(9), 1993, pp. 6704-6715
Risultati: 1-21 |