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1. |
Record Nr. |
UNINA9910704282803321 |
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Autore |
Cannon Helen L. <1911-1996, > |
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Titolo |
Description of indicator plants and methods of botanical prospecting for uranium deposits on the Colorado Plateau / / by Helen L. Cannon |
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Pubbl/distr/stampa |
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[Washington, D.C.] : , : United States Department of the Interior, Geological Survey, , 1957 |
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Washington : , : United States Government Printing Office |
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Descrizione fisica |
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1 online resource (iv, 399-516 pages) : illustrations, map, photographs |
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Collana |
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Geological Survey bulletin ; ; 1030-M |
A contribution to the geology of uranium |
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Soggetti |
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Biogeochemical prospecting - Colorado Plateau |
Plant indicators - Colorado Plateau |
Biogeochemical prospecting |
Plant indicators |
United States Colorado Plateau |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Title from title screen (viewed July 22, 2014). |
"This report concerns work done on behalf of the U.S. Atomic Energy Commission and is published with the permission of the Commission." |
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Nota di bibliografia |
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Includes bibliographical references (page 411) and index. |
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2. |
Record Nr. |
UNINA9911019196703321 |
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Autore |
Young David C. <1964-> |
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Titolo |
Computational chemistry : a practical guide for applying techniques to real-world problems / / David C. Young |
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Pubbl/distr/stampa |
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ISBN |
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9786610541683 |
9781280541681 |
1280541687 |
9780470880081 |
0470880082 |
9780471458432 |
0471458430 |
9780471220657 |
0471220655 |
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Descrizione fisica |
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1 online resource (408 p.) |
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Disciplina |
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Soggetti |
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Chemistry - Computer simulation |
Chemistry - Data processing |
Chemistry - Mathematics |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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CONTENTS; PREFACE; ACKNOWLEDGMENTS; SYMBOLS USED IN THIS BOOK; 1. Introduction; 1.1 Models, Approximations, and Reality; 1.2 How Computational Chemistry Is Used; Bibliography; Part I. BASIC TOPICS; 2. Fundamental Principles; 2.1 Energy; 2.2 Electrostatics; 2.3 Atomic Units; 2.4 Thermodynamics; 2.5 Quantum Mechanics; 2.6 Statistical Mechanics; Bibliography; 3. Ab initio Methods; 3.1 Hartree-Fock Approximation; 3.2 Correlation; 3.3 Möller-Plesset Perturbation Theory; 3.4 Configuration Interaction; 3.5 Multi-configurational Self-consistent Field; 3.6 Multi-reference Configuration Interaction |
3.7 Coupled Cluster3.8 Quantum Monte Carlo Methods; 3.9 Natural Orbitals; 3.10 Conclusions; Bibliography; 4. Semiempirical Methods; 4.1 Hückel; 4.2 Extended Hückel; 4.3 PPP; 4.4 CNDO; 4.5 MINDO; 4.6 |
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MNDO; 4.7 INDO; 4.8 ZINDO; 4.9 SINDO1; 4.10 PRDDO; 4.11 AMI; 4.12 PM3; 4.13 PM3/TM; 4.14 Fenske-Hall Method; 4.15 TNDO; 4.16 SAM1; 4.17 Gaussian Theory; 4.18 Recommendations; Bibliography; 5. Density Functional Theory; 5.1 Basic Theory; 5.2 Linear Scaling Techniques; 5.3 Practical Considerations; 5.4 Recommendations; Bibliography; 6. Molecular Mechanics; 6.1 Basic Theory; 6.2 Existing Force Fields |
6.3 Practical Considerations6.4 Recommendations; Bibliography; 7. Molecular Dynamics and Monte Carlo Simulations; 7.1 Molecular Dynamics; 7.2 Monte Carlo Simulations; 7.3 Simulation of Molecules; 7.4 Simulation of Liquids; 7.5 Practical Considerations; Bibliography; 8. Predicting Molecular Geometry; 8.1 Specifying Molecular Geometry; 8.2 Building the Geometry; 8.3 Coordinate Space for Optimization; 8.4 Optimization Algorithm; 8.5 Level of Theory; 8.6 Recommendations; Bibliography; 9. Constructing a Z-Matrix; 9.1 Z-Matrix for a Diatomic Molecule; 9.2 Z-Matrix for a Polyatomic Molecule |
9.3 Linear Molecules9.4 Ring Systems; Bibliography; 10. Using Existing Basis Sets; 10.1 Contraction Schemes; 10.2 Notation; 10.3 Treating Core Electrons; 10.4 Common Basis Sets; 10.5 Studies Comparing Results; Bibliography; 11. Molecular Vibrations; 11.1 Harmonic Oscillator Approximation; 11.2 Anharmonic Frequencies; 11.3 Peak Intensities; 11.4 Zero-point Energies and Thermodynamic Corrections; 11.5 Recommendations; Bibliography; 12. Population Analysis; 12.1 Mulliken Population Analysis; 12.2 Löwdin Population Analysis; 12.3 Natural Bond-Order Analysis; 12.4 Atoms in Molecules |
12.5 Electrostatic Charges12.6 Charges from Structure Only; 12.7 Recommendations; Bibliography; 13. Other Chemical Properties; 13.1 Methods for Computing Properties; 13.2 Multipole Moments; 13.3 Fermi Contact Density; 13.4 Electronic Spatial Extent and Molecular Volume; 13.5 Electron Affinity and lonization Potential; 13.6 Hyperfine Coupling; 13.7 Dielectric Constant; 13.8 Optical Activity; 13.9 Biological Activity; 13.10 Boiling Point and Melting Point; 13.11 Surface Tension; 13.12 Vapor Pressure; 13.13 Solubility; 13.14 Diffusivity; 13.15 Visualization; 13.16 Conclusions; Bibliography |
14. The Importance of Symmetry |
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Sommario/riassunto |
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A practical, easily accessible guide for bench-top chemists, this book focuses on accurately applying computational chemistry techniques to everyday chemistry problems.Provides nonmathematical explanations of advanced topics in computational chemistry.Focuses on when and how to apply different computational techniques.Addresses computational chemistry connections to biochemical systems and polymers.Provides a prioritized list of methods for attacking difficult computational chemistry problems, and compares advantages and disadvantages of various approximation techniques.<li |
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3. |
Record Nr. |
UNISA996668470303316 |
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Autore |
Ma Jun |
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Titolo |
Fast, Low-Resource, Accurate Robust Organ and Pan-cancer Segmentation : MICCAI Challenge, FLARE 2024, Held in Conjunction with MICCAI 2024, Marrakesh, Morocco, October 6, 2024, Proceedings / / edited by Jun Ma, Bo Wang |
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Pubbl/distr/stampa |
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Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
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ISBN |
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Edizione |
[1st ed. 2025.] |
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Descrizione fisica |
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1 online resource (476 pages) |
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Collana |
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Lecture Notes in Computer Science, , 1611-3349 ; ; 15717 |
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Altri autori (Persone) |
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Disciplina |
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Soggetti |
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Image processing - Digital techniques |
Computer vision |
Artificial intelligence |
Computer networks |
Application software |
Education - Data processing |
Software engineering |
Computer Imaging, Vision, Pattern Recognition and Graphics |
Artificial Intelligence |
Computer Communication Networks |
Computer and Information Systems Applications |
Computers and Education |
Software Engineering |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Sommario/riassunto |
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This book constitutes the proceedings of the MICCAI 2024 Challenge, FLARE 2024, held in Conjunction with MICCAI 2024, in Marrakesh, Morocco, during October 2024. The 20 full papers included in this book were carefully reviewed and selected from 24 submissions. They describe the solutions the participants found for automatic abdominal organ and pan-cancer segmentation using the official training dataset released for this pupose. This challenge focuses on both organ and |
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pan-cancer segmentation, including three subtasks: Subtask 1: Pan-cancer segmentation in CT scans Subtask 2: Abdominal CT organ segmentation on laptop Subtask 3: Unsupervised domain adaptation for abdominal organ segmentation in MRI Scans. |
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