Bücher Internet

Navigation und Service


Publikationen von Mitarbeitern der Zentralbibliothek

Die Ergebnisse der Arbeit der Zentralbibliothek werden in Zeitschriftenartikeln, Konferenzbeiträgen, Büchern, Fachpublikationen und auch Vorträgen veröffentlicht.

Publikationen von ZB-Mitarbeitern

Die Zentralbibliothek ist ein innovativer Informationsdienstleister im Bereich Naturwissenschaft und Forschung.
In diesem Zusammenhang führt die Bibliothek eigene Projekte durch, kooperiert mit modernen Informationseinrichtungen sowie Fachverlagen und organisiert Konferenzen im Spannungsfeld von Wissenschaft und Information.

Die Ergebnisse dieser Arbeit werden dokumentiert in zahlreichen Zeitschriftenartikeln, Konferenzbeiträgen, Büchern sowie weiteren Fachpublikationen.


Bitte wählen Sie ein Jahr:

2000200120022003200420052006200720082009
20102011201220132014

Liste der Publikation der Mitarbeiter der Zentralbibliothek im Jahr 2000

Book

Wissenschaftlich-technische Publikationen / Forschungszentrum Jülich : wissenschaftliche Veröffentlichungen des Forschungszentrums Jülich 1997 - 1999
Schriften des Forschungszentrums Jülich . Reihe Bibliothek/Library 7, (2000)

Contribution to a book
; ;
Ab Initio Treatment of Electron Correlations in Polymers: Lithium Hydride Chain and Beryllium Hydride Polymer
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 28, p. 28, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 28 (2000)

Contribution to a book

Methods to calculate the properties of large molecules
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 2, p. 7, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 7 (2000)

Contribution to a book
; ;
Ab Initio Treatment of Large Molecules
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 2, p. 7-25, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 7-25 (2000)

Contribution to a book
; ;
DFT Calculations for Planning the Synthesis of More Efficient Devices Performing Artificial Photosynthesis
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 7, p. 7, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 7 (2000)

Contribution to a book
; ; ; ;
Toward Quantitative Prediction of Stereospecificity of Metallocene-Based Catalysts for alpha-Olefin Polymerization
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 41, p. 41, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 41 (2000)

Contribution to a book
; ;
Theoretical Studies on the Higher Oxidation States of Iron
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 3, p. 3, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 3 (2000)

Contribution to a book
;
Quantitative Prediction of Gas-Phase 13C NMR Chemical Shifts
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 27, p. 27, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 27 (2000)

Contribution to a book
; ;
Polarized Atomic Orbitals for Linear Scaling Methods
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 53, p. 53, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 53 (2000)

Contribution to a book
;
Computing derivatives of computer programs
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 12, p. 287-299, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 287-299 (2000)

Contribution to a book
;
Computing Derivatives of Computer Programs
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 12, p. 315-327, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 315-327 (2000)

Contribution to a book
; ; ;
CASSCF Ab Initio Studies of Organic Peroxide and Hydroperoxide Formation by Singlet Oxygen Addition to Unsaturated and Aromatic Compounds
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 31, p. 31, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 31 (2000)

Contribution to a book
; ; ; ; ;
Oxydation of Methanol to Formaldehyde on V2O5 Investigated by Density Functional Theory
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 4, p. 4, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 4 (2000)

Contribution to a book
;
Ab Initio Calculations of the Chiroptical Properties of Z-Configured Polymethine Dyes
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 33, p. 33, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 33 (2000)

Contribution to a book
; ;
Reactivity of Anti-O,O'-Dibenzene Radical Cation in Argon Matrix
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 15, p. 15, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 15 (2000)

Contribution to a book
; ;
Photodissociation Study of Cyclopentadienyl Manganese Tricarbonyl [CpMn(CO)3] Based on Ab Initio Potentials
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 25, p. 25, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 25 (2000)

Contribution to a book

Effective core potentials
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 15, p. 479-508, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 479-508 (2000)

Contribution to a book

Effective Core potentials
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 15, p. 507-540, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 507-540 (2000)

Contribution to a book
; ;
Theoretical Study of the Dissociation of Small Neon Clusters
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 46, p. 46, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 46 (2000)

Contribution to a book
; ;
Vibrational Spectra from Data of Subsystems
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 18, p. 18, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 18 (2000)

Contribution to a book
; ;
A Model Study of Photoinduced Recoordination in Cationic Complexes of Photochromic Azacrown Ethers
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 20, p. 20, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 20 (2000)

Contribution to a book

Molecular properties
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 16, p. 509-560, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 509-560 (2000)

Contribution to a book

Molecular Properties
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 16, p. 541-592, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 541-592 (2000)

Contribution to a book
;
Implementation of an NDDO/CI/SOS Approach for Second-Order Hyperpolarizabilities
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 42, p. 42, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 42 (2000)

Contribution to a book
;
Electronic Structure of MX and MX2 Systems(M = Cu, Ag, Au, X = F, Cl, Br)
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 26, p. 26, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 26 (2000)

Contribution to a book
; ;
Substituent Effects on the Folding of beta-Peptides
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 39, p. 39, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 39 (2000)

Contribution to a book

Linear Response CCSD Triplet Excitation Energies Using an Explicit Spin-Coupling
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 54, p. 54, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 54 (2000)

Contribution to a book

Basis-Set Convergence in Correlated Calculations of Molecular Properties
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 30, p. 30, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 30 (2000)

Contribution to a book

Tensor concepts in electronic structure theory:Application to self-consistent field methods and electron correlation techniques
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 17, p. 561-562, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 561-562 (2000)

Contribution to a book
; ; ; ;
Tensors in Electronic Structure Theory:Basic Concepts and Applications to Electron Correlation Models
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 17, p. 593-638, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 593-638 (2000)

Contribution to a book
; ;
Pertubation Theory of Magnetic Properties and Relativistic Corrections Based on the Lévy-Leblond Equation
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 52, p. 52, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 52 (2000)

Contribution to a book
;
Spin-Restricted MBPT and CC Theory
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 29, p. 29, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 29 (2000)

Contribution to a book

Potential Energy Functions and Rovibrational Spectra of the Diazadicarbon (CCNN) and Cyanogen (NCCN)
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 36, p. 36, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 36 (2000)

Contribution to a book
; ; ;
Ab Initio Investigation of the Ground State of C3H-: Potential Energy Function and Rovibrational Spectrum
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 37, p. 37, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 37 (2000)

Contribution to a book

Ab initio Molecular Dynamics: Theory and Implementation
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 13, p. 329-477, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 329-477 (2000)

Contribution to a book

The All-Electron Treating of the Spin-Orbit Interaction Based on Single-Determinant Wavefunction
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 51, p. 51, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 51 (2000)

Contribution to a book
; ; ;
Intermolecular Vibrational Couplings in the Phenol(H2O)1 Cluster
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 14, p. 14, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 14 (2000)

Contribution to a book
; ;
Simulations of the Raman Optical Activity of Peptides
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 11, p. 11, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 11 (2000)

Contribution to a book
; ;
Broadening and Polarisation of D1 and D2 Lines of Sodium Induced by Collisions with Atomic Hydrogen
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 16, p. 16, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 16 (2000)

Contribution to a book

R12 methods, Gaussian geminals
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 7, p. 153-201, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 153-201 (2000)

Contribution to a book

R12 Methods, Gaussian Geminals
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 7, p. 181-229, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 181-229 (2000)

Contribution to a book
; ;
Ab Initio Methods for Electron Correlation in Molecules
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 6, p. 69-151, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 69-151 (2000)

Contribution to a book
; ;
Ab Initio Methods for Electron Correlation in Molecules
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 6, p. 97-179, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 97-179 (2000)

Contribution to a book
; ; ;
Dissipative Quantum Dynamics for Laser Induced Desorption
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 44, p. 44, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 44 (2000)

Contribution to a book
;
Towards Reliable Conformational Energies: Hexane Conformers
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 35, p. 35, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 35 (2000)

Contribution to a book
; ; ; ; ;
Parallel Implementation of the Self-Consistent-Charge Density-Functional-Based Tight-Binding
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 21, p. 21, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 21 (2000)

Contribution to a book
; ;
Efficient Real-Space Approach to TDDFT for the Dielectric Response of Periodic Systems
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 1, p. 1, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 1 (2000)

Contribution to a book
;
All-Electron Ab-Initio Molecular Dynamics
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 47, p. 47, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 47 (2000)

Contribution to a book

Direct solvers for symmetric eigenvalue problems
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 8, p. 203-231, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 203-231 (2000)

Contribution to a book

Direct Solvers for Symmetric Eigenvalue Problems
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 8, p. 231-259, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 231-259 (2000)

Contribution to a book
; ; ;
Charge Transfer Complexes: N+4, N2CO+ and OCCO+
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 13, p. 13, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 13 (2000)

Contribution to a book
; ;
Ab Initio Monte Carlo Simulations of Neon and Argon
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 12, p. 12, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 12 (2000)

Contribution to a book

Ab Initio Study of Reaction Mechanism of Ozone with Ethene and its Monohalogenated Derivatives
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 34, p. 34, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 34 (2000)

Contribution to a book

The fitting of Auxiliary Basis Sets to Electron Densities
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 8, p. 8, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 8 (2000)

Contribution to a book

Quantum Cluster Equilibrium Theory: Carbonic Acid in the Gas and the Solid Phase
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 10, p. 10, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 10 (2000)

Contribution to a book
;
Ab initio molecular dynamics: Theory and Implementation
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 13, p. 301-449, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 301-449 (2000)

Contribution to a book
; ;
Theoretical Computations of Transition Metal NMR Chemical Shifts
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 2, p. 2, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 2 (2000)

Contribution to a book
;
Electronic Structure Computation on a NUMA Parallel Supercomputer
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 22, p. 22, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 22 (2000)

Contribution to a book
; ; ;
MBPT and DFT Studies of Hydrogen Cyanide Borane(1) Oligomers, Polymers and their Dehydrogenated Analogs
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 24, p. 24, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 24 (2000)

Contribution to a book
; ; ;
Parallelization of the Dirac-Fock Package MOLFDIR: A Pathway for the Treatment of Large Relativistic Systems
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 50, p. 50, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 50 (2000)

Contribution to a book

Molecular Electrostatic Field as Useful Descriptor of Molecular Lipophilicity
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 38, p. 38, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 38 (2000)

Contribution to a book
;
Relativistic electronic-structure calculations for molecules
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 14, p. 451-477, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 451-477 (2000)

Contribution to a book
;
Relativistic Electronic-Structure Calculations for Atoms and Molecules
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 14, p. 479-505, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 479-505 (2000)

Contribution to a book
;
The Effect of Solvation on the Excited States of Water and Methanol
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 32, p. 32, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 32 (2000)

Contribution to a book

Industrial challenges for quantum chemistry
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 1, p. 1-5, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 1-5 (2000)

Contribution to a book

Industrial Challenges for Quantum Chemistry
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 1, p. 1-5, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 1-5 (2000)

Contribution to a book
; ;
Towards a Catalyst for Alkene Hydroamination - Static and Dynamic Ab Initio DFT Studies
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 45, p. 45, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 45 (2000)

Contribution to a book

Hybrid quantum mechanics/molecular mechanics approaches
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 10, p. 257-277, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 257-277 (2000)

Contribution to a book

Hybrid Quantum Mechanics/Molecular Mechanics Approaches
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 10, p. 285-305, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 285-305 (2000)

Contribution to a book

Tools for parallel quantum chemistry software
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 5, p. 49-67, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 49-67 (2000)

Contribution to a book

Tools for Parallel Quantum Chemistry Software
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 5, p. 67-96, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 67-96 (2000)

Contribution to a book
;
DFT-MRCI Hybrid Theory
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 40, p. 40, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 40 (2000)

Contribution to a book
; ; ;
Ab Initio Calculations and Molecular Dynamics Simulations of Intramolecular Charge Transfer in 4-(N,N-Dimethylamino)benzonitrile
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 43, p. 43, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 43 (2000)

Contribution to a book
; ; ;
Quantum Dynamical Investigation of Photochemical Reactions Beyond the Born Oppenheimer Approximation
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 49, p. 49, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 49 (2000)

Contribution to a book
; ; ; ;
Laserinduced Desorption of CO from Chromiumoxide
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 17, p. 17, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 17 (2000)

Contribution to a book

Semiempirical methods
NIC Series Volume 1 : Modern Methods and Algorithms of Quantum Chemistry Proceedings, Johannes Grotendorst (Editor), chapter 9, p. 233-255, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005618-1 NIC series 1, 233-255 (2000)

Contribution to a book

Semiempirical Methods
NIC Series Volume 3 : Modern Methods and Algorithms of Quantum ChemistryProceedings, Second Edition, Johannes Grotendorst (Editor), chapter 9, p. 261-283, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005834-6 NIC series 3, 261-283 (2000)

Contribution to a book
;
Gas-Phase Reactions of X3M-NCR and X3M-CNR Donor-Acceptor Complexes (M=Al,Ga;X=H,Cl,CH3;R=H,CH3)
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 6, p. 6, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 6 (2000)

Contribution to a book
; ;
Density Functional Study of the 1,4-Polymerization of Butadiene with Cationic [NiII(C4H7)(C4H6)PH3]+ Complexes
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 9, p. 9, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 9 (2000)

Contribution to a book
;
Reactivity of NO and (NO)2 on Cu(110)
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 5, p. 5, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 5 (2000)

Contribution to a book
;
Chemical Shift Driven Molecular Dynamics and Structure Optimization
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 48, p. 48, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3 NIC series 2, 48 (2000)

Conference Presentation

Quality management of library services in the digital era : including an example of best practice
Online information 2000
London, 2000-12-05
(2000)

Conference Presentation

Imagebildung und Imagepflege in Spezialbibliotheken
1. gemeinsamer Kongress der BDB und der DGI
Leipzig, 2000-03-20
(2000)

Conference Presentation

New management for the digital universe
International Gutenberg conference
Mainz, 2000-07-03
(2000)

Contribution to a conference proceedings/Contribution to a Book

Die Cash Cow im Dienstleistungsportfolio einer Bibliothek oder : was macht Bibliotheken heute noch attraktiv?
Vorträge zum 26. Österreichischen Bibliothekartag, Universitätscampus Wien, 19.-23. September 2000 / VÖB. - Internet-Publikation (2000)

Contribution to a conference proceedings/Contribution to a Book

Does the diversification of the information environment turn scientists into information illitrates?
Access 2000 : intellectual property vs. the right to knowledge? proceedings of the 8th international BOBCATSSS Symposium on Library and Information Science, Krakow 24. - 26.1.2000. - Copenhagen, 2000. - 87-7415-268-8. - S. 7 - 18 (2000)

Contribution to a conference proceedings/Contribution to a Book

Leaving the Gutenberg galaxy for the digital universe : quality management of new library services
ISO 9000 & TQM for 2000+ : proceedings of the 5th international conference on ISO 9000 & TQM, Singapore, 25. - 27.4.2000. - 2000.- 962-85264-0-2. - S. 524 - 528 (2000)

Contribution to a conference proceedings/Contribution to a Book

Quality management of library services in the digital era
24th International Online Information Meeting : proceedings, London 5. - 7.12.2000 / ed.: Catherine Graham. - Oxford, 2000. - 1-900871-53-X. - S. 157 - 164 (2000)

Contribution to a conference proceedings/Contribution to a Book

Multimediales für Forschung und Lehre : Wissenschaft und Bibliotheken: Das aktive Engagement im Kontext elektronischen Publizierens
Wissenschaft online : Elektronisches Publizieren in Bibliothek und Hochschule / ed.: B. Tröger. - Frankfurt, Klostermann, 2000. - (Zeitschrift für Bibliothekswesen und Bibliographie ; SH 80). - 3-465-03081-8, 978-3-465-03081-2. - S. 21 - 36 (2000)

Contribution to a conference proceedings/Contribution to a Book

Die Deutsche Gesellschaft im Krieg und die okkupierten Niederlande
Nationalsozialistische Herrschaft und Besatzungszeit : historische Erfahrung und Verarbeitung aus niederländischer und deutscher Sicht / ed.: N. Fasse, J. Houwink ten Cate, H. Lademacher. - Münster, Waxmann, 2000. - (Studien zur Geschichte und Kultur Nordwesteuropas ; 1). - 3-89325-899-X. - S. 163 - 178 (2000)

Journal Article

The scientific information environment in the next millennium
Library management 21, 10 - 12 (2000)  GO

Journal Article

Wissenschaft und Bibliotheken : das aktive Engagement im Kontext elektronischen Publizierens
80, 21 - 36 (2000)  GO

Journal Article

Der Wissenschaftler als Informationsanalphabet? : von der Vielfalt der Informationssysteme und der Überforderung der Bibliothekskunden
B.I.T.-Online 3, 157 - 166 (2000)  GO

Journal Article

Die Gutenberg-Konferenz in Mainz : Kongressbericht
B.I.T.-Online 3, 355 (2000)  GO

Journal Article

Imagebildung und Imagepflege in Spezialbibliotheken
B.I.T.-Online 3, 413 - 420 (2000)  GO

Journal Article

Future trends in special library services
Inspel 34, (2000)  GO


Servicemenü

Homepage