Erscheinungsjahr
Medientyp
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Synonyme wurden verwendet für: Chemoinformatik
Suche ohne Synonyme: keywords:(Chemoinformatik)
Verwendete Synonyme:
- chemieinformatik
- chemiinformatics
- cheminformatics
- cheminformatik
- chemoinformatics
- computational chemistry
- computerchemie
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Integrating Chemical Kinetic Rate Equations by Selective Use of Stiff and Nonstiff Methods
NTIS | 1985|Schlagwörter: Computational chemistry -
Algorithms Versus Architectures for Computational Chemistry
NTIS | 1986|Schlagwörter: Computational chemistry -
Computational Solution of Atmospheric Chemistry Problems
NTIS | 1986|Schlagwörter: Computational chemistry -
Theoretical Research Program to Study Chemical Reactions in AOTV (Aeroassist Orbital Transfer Vehicle) Bow Shock Tubes
NTIS | 1986|Schlagwörter: Computational chemistry -
Carbon Dioxide Chaperon Efficiency for the Reaction H + O2 + M Yields HO2 + M from Ignition Delay Times Behind Reflected Shock Waves
NTIS | 1987|Schlagwörter: Computational chemistry -
Potential Surfaces for O Atom-Polymer Reactions (Abstract)
NTIS | 1987|Schlagwörter: Computational chemistry -
Production of O(1D) from Dissociative Recombination of O2(+)
NTIS | 1987|Schlagwörter: Computational chemistry -
Potential Energy Surfaces for Atomic Oxygen Reactions: Formation of Singlet and Triplet Biradicals as Primary Reaction Products with Unsaturated Organic Molecules
NTIS | 1987|Schlagwörter: Computational chemistry -
Detailed Mechanism of Toluene Oxidation and Comparison with Benzene
NTIS | 1988|Schlagwörter: Computational chemistry -
Concurrent Processing in Computational Chemistry
NTIS | 1988|Schlagwörter: Computational chemistry -
Recent Advances in Electronic Structure Theory and Their Influence on the Accuracy of Ab Initio Potential Energy Surfaces
NTIS | 1988|Schlagwörter: Computational chemistry -
Quantum-Theoretical Methods and Studies Relating to Properties of Materials
NTIS | 1989|Schlagwörter: Computational chemistry -
Upwind Formulations and Non Equilibrium Chemistry
NTIS | 1989|Schlagwörter: Computational chemistry -
Computation of C-C and n-N Bond Dissociation Energies for Singly, Doubly, and Triply Bonded Systems
NTIS | 1989|Schlagwörter: Computational chemistry -
Near Hartree-Fock Quality Gaussian Type Orbital Basis Sets for the First- and Third-Row Atoms
NTIS | 1989|Schlagwörter: Computational chemistry -
Computational Fluid Dynamics Program at NASA Ames Research Center
NTIS | 1989|Schlagwörter: Computational chemistry -
Polyatomic Molecular Dirac-Hartree-Fock Calculations with Gaussian Basis Sets
NTIS | 1990|Schlagwörter: Computational chemistry -
Heats of Explosion, Detonation and Reaction Products: Their Estimation and Relation to the First Law of Thermodynamics
NTIS | 1990|Schlagwörter: Computational chemistry -
Computed Structures of Polyimides Model Compounds
NTIS | 1990|Schlagwörter: Computational chemistry -
Upper Atmosphere Research: Reaction Rate and Optical Measurements
NTIS | 1990|Schlagwörter: Computational chemistry -
Electron Correlation in Molecules: Dynamically Load Balanced Algorithms for Diagrammatic Perturbation Theory
NTIS | 1990|Schlagwörter: Computational chemistry -
AFOSR(Air Force Office of Scientific Research) Chemical and Atmospheric Sciences Program Review (33rd) FY88
NTIS | 1990|Schlagwörter: Computational chemistry -
Vibrational Spectrum of H2O3: An Ab Initio Investigation
NTIS | 1991|Schlagwörter: Computational chemistry -
New Development of Ab initio Molecular Orbital Program Packages Named AMOSS
NTIS | 1991|Schlagwörter: Computational chemistry -
Numerical Solution of Stiff Ordinary Differential Equations for Polymerisation Kinetics
NTIS | 1991|Schlagwörter: Computational chemistry -
All-Electron Molecular Dirac-Hartree-Fock Calculations: Properties of the Group IV Monoxides GeO, SnO and PbO
NTIS | 1991|Schlagwörter: Computational chemistry -
Macromolecular Recognition: Structural Aspects of the Origin of the Genetic System
NTIS | 1991|Schlagwörter: Computational chemistry -
Predicting Polymer Properties By Computational Methods. 1. Polyvinyl Chloride and Its Homologs
NTIS | 1991|Schlagwörter: Computational chemistry -
Cumulative Reports and Publications through December 31, 1990
NTIS | 1991Schlagwörter: Computational chemistry -
Fundamental Studies of Carbon, NH, and Oxygen Rings and Other High Energy Density Molecular Systems
NTIS | 1991|Schlagwörter: Computational chemistry -
Ab Initio Study of the C3(+) Cation Using Multireference Methods
NTIS | 1991|Schlagwörter: Computational chemistry -
Modern CFD Applications for the Design of a Reacting Shear Layer Facility
NTIS | 1991|Schlagwörter: Computational chemistry -
Computed Potential Energy Surfaces for Chemical Reactions
NTIS | 1992|Schlagwörter: Computational chemistry -
Connected Triple Excitations in Coupled-Cluster Calculations of Hyperpolarizabilities: Neon
NTIS | 1992|Schlagwörter: Computational chemistry -
Effects of Molecular Structure on the Electrical Conductivity of Polymers
NTIS | 1992|Schlagwörter: Computational chemistry -
Theoretical Characterization of the Potential Energy Surface for NH + NO
NTIS | 1992|Schlagwörter: Computational chemistry -
Structures, Binding Energies and Vibrational Frequencies of CA3 and CA4: An Application of the CCSD(T) Method
NTIS | 1992|Schlagwörter: Computational chemistry -
Theoretical Research Program to Study Chemical Reactions in Aotv Bow Shock Tubes
NTIS | 1992|Schlagwörter: Computational chemistry
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