Includes index. Book.
0000 - Gale Group | The Making of Modern World
A. Nieuwpoort, J.H.E. Moonen, J. A. Cras,
... Tetrakis(N,N-dimethyldithiocarbamato)-molybdenum(V) halides A. Nieuwpoort, A. Nieuwpoort Department of Inorganic Chemistry, University of Nijmegen, Toernooiveld, ... NetherlandsSearch for more papers by this author A. Nieuwpoort, A. Nieuwpoort Department of Inorganic Chemistry, University of Nijmegen, Toernooiveld, ...
Tópico(s): Metalloenzymes and iron-sulfur proteins
1973 - Royal Netherlands Chemical Society | Recueil des Travaux Chimiques des Pays-Bas
J. J. Steggerda, J. A. Cras, J. Willemse,
... 2792(08)60094-1 CASGoogle Scholar 3 A. Nieuwpoort and J. J. Steggerda, Recl. Trav. Chim. Pays- ... 10.1002/recl.19760950713 CASGoogle Scholar 30 A. Nieuwpoort, J. H. E. Moonen and J. A. Cras, ...
Tópico(s): Crystal structures of chemical compounds
1981 - Royal Netherlands Chemical Society | Recueil des Travaux Chimiques des Pays-Bas
Timothy N. Debacker, Manuel Sintubin,
... respect to the Asquempont Detachment System and the Nieuwpoort-Asquempont Fault Zone are discussed. Finally, a preliminary ... event. KeyW ords: Anglo-Brabant Deformation Belt, cleavage, Nieuwpoort-Asquempont Fault Zone, strain, X-ray pole figure ...
Tópico(s): Geological Modeling and Analysis
2008 - University of Liège | Geologica Belgica
... first use in combat at the battle of Nieuwpoort in 1600 by a Dutch army commanded by ...
Tópico(s): Historical Geopolitical and Social Dynamics
2007 - Society for Military History | The Journal of Military History
Pieter Boets, Koen Lock, Peter Goethals,
... and impact in the four Belgian coastal harbours (Nieuwpoort, Ostend, Blankenberge and Zeebrugge). Biological and physical–chemical ... assess the ecological water quality, the harbour of Nieuwpoort and Ostend scored best and were classified as ...
Tópico(s): Marine Biology and Ecology Research
2011 - Springer Science+Business Media | Helgoland Marine Research
Kelly E. Diaz, Aimee L. Lucas,
... van Leeuwen I. van der Drift C. van Nieuwpoort F.A. Out-Luiting C.J. Vasen H. ... van Leeuwen I. van der Drift C. van Nieuwpoort F.A. Out-Luiting C.J. Vasen H. ...
Tópico(s): Genetic factors in colorectal cancer
2018 - Elsevier BV | American Journal Of Pathology
Teun Graafland, Wim C. Nieuwpoort, Jan B. F. N. Engberts,
... of the pentacoordinated sulfur intermediateTeun Graafland, Wim C. Nieuwpoort, and Jan B. F. N. EngbertsCite this: J. ...
Tópico(s): Chemical Synthesis and Reactions
1981 - American Chemical Society | Journal of the American Chemical Society
Philippe De Maeyer, Stanislas Wartel, Guy De Moor,
The subbottom survey of the Nieuwpoort Banks allows recognition of 4 successive stages underlain by leper Clay: (1) The bank rests upon a sedimentary unit, at least ...
Tópico(s): Aeolian processes and effects
1985 - Elsevier BV | Netherlands Journal of Sea Research
... present study. Following the experience in the Netherlands (Nieuwpoort et al., 2010), the wind effect of the ... hundred feet). This criterion has been established by Nieuwpoort et al. (2010) and related studies in the ... the 7 kn criterion. It is noted that Nieuwpoort et al. (2010) refer to a crosswind change ... account crosswinds. In addition to the work by Nieuwpoort et al. (2010), the validity of the 7 ... operational manuals and research conducted by for example Nieuwpoort et al. (2010). All criteria described below assume ...
Tópico(s): Air Traffic Management and Optimization
2016 - Wiley | Meteorological Applications
G. Nieuwpoort, G. C. Verschoor,
... amino-2-propanol)bis(isothiocyanato)nickel(II)Ger Nieuwpoort and Gerrit C. VerschoorCite this: Inorg. Chem. 1981, ...
Tópico(s): Crystal structures of chemical compounds
1981 - American Chemical Society | Inorganic Chemistry
Rob V. van Nieuwpoort, Jason Maassen, Gosia Wrzesiñska, Thilo Kielmann, Henri E. Bal,
Tópico(s): Advanced Data Storage Technologies
2006 - Springer Science+Business Media | The Journal of Supercomputing
James W. Richardson, R. R. Powell, W. C. Nieuwpoort,
Orthogonalized 4p and 4d radial wavefunctions for first-row transition-metal atoms and ions have been computed using a minimum set of Slater-type functions with integral quantum numbers. Configurations of the type 3dx4p, 3dx4p2, 3dx4d and 3dx4d2 were studied. Free parameters were varied to minimize the energy of these electrons in the (fixed) Coulomb and exchange potential field of the inner shells, considered in a previous paper. Various criteria suggest that these functions are reasonably good. ...
Tópico(s): Quantum Mechanics and Non-Hermitian Physics
1963 - American Institute of Physics | The Journal of Chemical Physics
R. Bleekrode, W. C. Nieuwpoort,
Absorption and emission spectra pertaining to electronic transitions of the short-lived molecules C2 and CH as present in the reaction zone of low-pressure oxyacetylene flames are studied. Steady flame absorption in the 4315-Å band of CH (2Δ—2Π) is reported for the first time. The concentration of CH in the 2Π(v=0) state is estimated to be [CH]≈1012 cm−3. The absorption measurements of the 0–0 C2 Swan band (3Πg—3Πu) extend existing measurements in that the rotational structure of the P and R branches ...
Tópico(s): Combustion and flame dynamics
1965 - American Institute of Physics | The Journal of Chemical Physics
James W. Richardson, W. C. Nieuwpoort, R. R. Powell, Walter F. Edgell,
Orthogonal radial wave functions of first-row transition-metal atoms and ions for 1s, 2s, 3s, 4s, 2p, 3p, and 3d electrons have been constructed using a minimum set of normalized Slater-type functions. Special attention is given to the 3d orbitals, for which it is necessary to use the ``double-zeta'' form; i.e. two Slater-type functions of different effective nuclear charges. Free parameters are determined by maximizing overlap with recently available self-consistent field functions. The simplified ...
Tópico(s): X-ray Diffraction in Crystallography
1962 - American Institute of Physics | The Journal of Chemical Physics
W. C. Nieuwpoort, G. A. Wesselink, E. H. A. M. van der Wee,
Abstract In this paper the spectral behaviour at different temperatures of solutions of anhydrous CoCl 2 in water, methanol, ethanol, 1‐propanol, 2‐propanol, and acetone is reported and discussed. The work was initiated by the striking colour changes observed in some of these solvents when the temperature is lowered well below room temperature. The effects are interpreted in terms of octahedral‐tetrahedral configurational changes of solvated Co 2+ complexes. A number of earlier observations, which ...
Tópico(s): Spectroscopy and Quantum Chemical Studies
1966 - Royal Netherlands Chemical Society | Recueil des Travaux Chimiques des Pays-Bas
Tópico(s): Atomic and Subatomic Physics Research
1966 - Elsevier BV | Solid State Communications
Arthur J. H. Wachters, W. C. Nieuwpoort,
Restricted Hartree-Fock molecular-orbital calculations have been carried out for various states of the cluster Ni${\mathrm{F}}_{6}^{4\ensuremath{-}}$ "in vacuo" and in a surrounding of several sets of point charges representing the perovskite lattice KNi${\mathrm{F}}_{3}$. All electrons were included. A "double-$\ensuremath{\zeta}$" basis set of contracted Gaussian orbitals has been used. The calculations were performed with the computer program IBMOL IV. The Hartree-Fock approximation gives a reasonable ...
Tópico(s): Heusler alloys: electronic and magnetic properties
1972 - American Physical Society | Physical review. B, Solid state
G.A. van der Velde, W. C. Nieuwpoort,
Tópico(s): Chemistry and Stereochemistry Studies
1972 - Elsevier BV | Chemical Physics Letters
W. C. Nieuwpoort, Doeke Post, P.Th. van Duijnen,
Ab initio self-consistent-field molecular-orbital calculations were performed on octahedral Fe${\mathrm{F}}_{6}$ and Fe${(\mathrm{CN})}_{6}$ clusters using extensive basis sets of Gaussian-type functions. Two distances relevant for ferrous and ferric compounds are considered. In this paper, we report the part of our results that is relevant for a determination of the isomer-shift calibration constant for Fe. Good overall consistency with available $^{57}\mathrm{Fe}$ M\"ossbauer data is found resulting ...
Tópico(s): Inorganic Fluorides and Related Compounds
1978 - American Physical Society | Physical review. B, Condensed matter
David M. Silver, Stephen Wilson, W. C. Nieuwpoort,
Abstract The concept of a universal basis set for electronic structure calculation is illustrated by presenting results obtained when basis sets are transferred from one atom to another. A single Slater‐orbital basis set, consisting of nine 1 s and six 2 p functions, produces Hartree‐Fock total energies and orbital energies in good agreement with the most accurate calculations of these energies obtained using different basis sets individually optimized for each atom. Transferability of integrals ...
Tópico(s): X-ray Diffraction in Crystallography
1978 - Wiley | International Journal of Quantum Chemistry
J.D. Zeinstra, W. C. Nieuwpoort,
Tópico(s): Crystallography and Radiation Phenomena
1978 - Elsevier BV | Inorganica Chimica Acta
David M. Silver, W. C. Nieuwpoort,
A single Slater-orbital basis set, consisting of nine 1s and six 2p functions, is used to calculate matrix Hartree—Fock ground state energies for several light atoms. The resulting energies are compared with the most accurate calculations of these energies obtained using different basis sets individually optimized for each atom.
Tópico(s): Advanced Physical and Chemical Molecular Interactions
1978 - Elsevier BV | Chemical Physics Letters
T.J.M. Smit, C. Haas, W. C. Nieuwpoort,
Tópico(s): Crystal Structures and Properties
1977 - Springer Science+Business Media | Theoretica Chimica Acta
... parameters: 3d functions: J. W. Richardson, W. C. Nieuwpoort, R. R. Powell, W. F. Edgell, At. Data ...
Tópico(s): Rare-earth and actinide compounds
1977 - Wiley | Angewandte Chemie International Edition
A. Nieuwpoort, J. J. Steggerda,
Abstract The physical properties of the dithiocarbamato compounds Mo(R 2 dtc) 4 (R 2 dtc = R 2 NCS 2 − ; R = Me, Et, i ‐Pr, Bz, Ph; R 2 = Tm, Pm, MeBz; Tm = (CH 2 ) 4 , Pm = (CH 2 ) 5 ) and [M(R 2 dtc) 4 ]X (M = Mo, W; X = various anions), and the dithio acid compounds M(Rdta) 4 (M = Mo, W; Rdta = RCS 2 − ; R = Tol, Naf; Tol = p ‐toluoyl, Naf = 2‐naphthoyl), prepared by oxidative decarbonylation of metal carbonyl complexes with disulfides, have been investigated. Conductivity data and infrared spectra indicate that all compounds contain metal ...
Tópico(s): Corrosion Behavior and Inhibition
1976 - Royal Netherlands Chemical Society | Recueil des Travaux Chimiques des Pays-Bas
Ria Broer, P.Th. van Duijnen, W. C. Nieuwpoort,
Ab initio molecular orbital calculations using a contracted basis of gaussian orbitals on the system methanethiol/imidazole are reported. For the hydrogen bond S---H---N in this system, which was chosen as a model for the active site of papain, a double-well potential was found at a SN separation of 3.35 Å. This sustains a newly proposed mechanism for the catalytic action of papain which involves the existence of an ion pair ImH+ S−. From minimal basis set calculations on the system methanethiol/ ...
Tópico(s): Molecular Junctions and Nanostructures
1976 - Elsevier BV | Chemical Physics Letters
A. Nieuwpoort, H. M. CLAESSEN, J. G. M. VAN DER LINDEN,
Presently, there is increased attention and focus on heavy metals, which are becoming one of the most serious environmental problems due to their adverse health effects. These toxic heavy metals are not easily degraded and require removal from polluted water to protect people and the environment. The purpose of this work was to prepare two types of dithiocarbamate ligands, one aliphatic (diethyldithiocarbamate) and the other aromatic (diphenyldithiocarbamate), and to use them as chelators to remove ...
Tópico(s): Crystal structures of chemical compounds
1975 - Elsevier BV | Inorganic and Nuclear Chemistry Letters
Three new antimony(III) iodide complexes with the N,N-diethylcarbamodithioic acid of formulae {[(SbI(Et2DTC)2)(I2)]n} (1), {[(Sb(Et2DTC)2)4 (SbI6) (I3)]n} (2) and {[SbI(Et2DTC)2]2} (3), (Et2DTCH: N,N-diethylcarbamodithioic acid, C5H11NS2) were synthesized from the reaction of antimony(III) iodide with tetraethylthiuram disulfide in 1:1 stoichiometry. The complexes 1–3 were characterized by melting point, elemental analysis, FT-IR spectroscopy, Raman spectroscopy, 1H, 13C NMR spectroscopy and Thermal Gravimetry– ...
Tópico(s): Metal complexes synthesis and properties
1974 - Elsevier BV | Inorganic and Nuclear Chemistry Letters
Harry T. Jonkman, G.A. van der Velde, W. C. Nieuwpoort,
Ab initio SCF MO calculations using a contracted double zeta basis set of 168 gaussian type functions were performed on TCNQ+, TCNQ, TCNQ− and TCNQ2−. The ionisation potentials obtained from total energy differences are generally 0.25-0.50 eV higher than the corresponding negative orbital energies from the TCNQ calculation and in satisfactory agreement with experimental results. The energy of the disproportionation reaction 2TCNQ−-TCNQ+TCNQ2− is calculated to be 4.62 eV. The charge distributions ...
Tópico(s): Transition Metal Oxide Nanomaterials
1974 - Elsevier BV | Chemical Physics Letters