SEARCH Articles Figures Tables A Computer-Algebraic Approach to the Derivation of Feynman-Goldstone Perturbation Expansions for Open-Shell Atoms and Molecules A Generalized Method for the Computer Analysis of Lipoprotein Distributions APPLICATION OF THE COMPUTATIONAL MODEL Accuracy of the Computational Methods Algorithmic complexity and the principles of molecular computing Appendix A Alternative algorithm to compute the weight Appendix. Examination of the Employment Environment for Computational Chemistry COMPUTATION OF THE PID FROM A STACKING SEQUENCE CANDIDATE COMPUTATION OF THE PRESS STATISTIC COMPUTATIONAL CHEMISTRY USING THE COMPUTER APPLICATIONS IN THE POLYMER LABORATORY COMPUTERS IN THE LABORATORY Computation Possibilities in the Melt Phase Computation of Forces on the Ions Computation of the BF3 Affinity Computation of the CDF for Materials with Fiber Symmetry Computation of the Fluxes Computation of the Fluxes in Multicomponent Systems Computation of the Heat Transfer Coefficient for External Flow Computation of the Heat Transfer Coefficient for Given qw Computation of the Inner Vortex Cut-Point Computation of the Integral Computation of the Residual Computation of the grand potential Computational Bayesian Approach to the Logistic Regression Model Computational Chemistry Using the PC, Third Edition, by Donald W. Rogers Computational Example Part I Determining the Model Parameters Computational Methods for the Neutron Age Computational Model for the Spin Dynamics Computational Model of the Kinetics Computational Modeling for the Rational MIP Design Computational Models for the Prediction of Aerosol Dispersion Computational Molecules in the Cell Computational studies on the mechanism Computational studies on the mechanism of orotidine monophosphate decarboxylase Computational technique atomic orbitals as building blocks of the molecular wave function Computations in the gas-phase Computer Techniques for Using the IBM Card File Computer Time Saving in the SCF Procedure Computer generation of the classes Computer misuse and the criminal law Computer program for the design Computing on the Internet Computing on the fly Computing the Correction Functions (7,p) Computing the MFPT Matrix Computing the Main Effects Computing the Partition Function Computing the Stoichiometric Subspace Computing: and the Internet Conclusions of the Computational Fluid Dynamics Study Constructing the General Computation Scheme DNA-based computing the idea Diffusion in polymers - The computational approach Efficient Computation of the Eigencomponents Efficient Computation of the Sensitivity Coefficients Example FDTD Computations of the Twisted Nematic Cell in One Dimension Explicit Computation of the Concentration Profiles Free Energy and the Entropy of Macromolecular Systems by Computer Simulation How Computational Chemistry Became Important in the Pharmaceutical Industry Modeling and the Computer Numerical Analysis vs Simulation Natural phenomena as computing processes. The Natural phenomena as computing processes. The physical limits of computation Numerical Methods for Computing the Frequency Response Observing or computing the different cycle numbers Off-The-Shelf Computer Systems Other Specialised Databases and the Use of Computers Overview of Computational Chemistry the electronic structure theory Role of the Computer Solving Equations on the Computer Spectra representation in the computer Spectroscopy Part 3 - Computing the Derivative Summary of the Computational Tests THE PERSONAL COMPUTER (PC) The Ab Initio Computation of Nuclear Magnetic Resonance Chemical Shielding The Association for Computing The Association for Computing Machinery The British Computer Society The Capabilities of Computational Chemistry The Computation of MCB and MCA Scales The Computational Aim The Computational Future of Pharmacogenomics The Computer Revolution The Computer Systems Validation Process The Computer as a Guide and Assistant in Retrosynthetic Analysis The Computer program LUDI The Computer-Based Laboratory The Development of Computational Chemistry in Canada The Development of Computational Chemistry in Germany The Digital Computer The Interplay between experiment and theory computational NMR spectroscopy of carbocations The National Resource for Computation in Chemistry The New Geometry of Computer Modeling The Philosophy of Computational Chemistry The Principles of X-ray Computed Tomography The Protein Data Bank, Three-Dimensional Structures, and Computation The QR method for computing all eigenvalues The Simulation of a Physical Process and Analogous Computers The Theory and Computation of Energy Deposition Properties The Tools of Computational Chemistry The Use of Interactive Computer Orientation The ZUSE Computers The computation procedure The computational prediction of polymorphs The computed number of cycles in monohemispheric auditory reaction tasks The computer model The construction of crystal structures by computer The interplay between experiment and theory: computational NMR The methods of computer simulation The use of computers The use of personal computers Theoretical Methods to Compute the Dispersion Energy Treating the computer as a black box Understanding the protein hydration layer lessons from computer simulations Universal Computation in the Game of Life Use of the Digital Computer