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1. |
Record Nr. |
UNINA9910829966903321 |
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Titolo |
Global and accurate vibration Hamiltonians from high resolution molecular spectroscopy [[electronic resource] /] / edited by Michel Herman ... [et al.] |
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Pubbl/distr/stampa |
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New York ; ; Chichester, : Wiley, c1999 |
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ISBN |
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1-282-68202-4 |
9786612682025 |
0-470-14167-0 |
0-470-14220-0 |
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Descrizione fisica |
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1 online resource (450 p.) |
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Collana |
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Advances in chemical physics ; ; v. 108 |
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Altri autori (Persone) |
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Disciplina |
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Soggetti |
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Hamiltonian systems |
Molecular spectroscopy |
High resolution spectroscopy |
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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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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and indexes. |
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Nota di contenuto |
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Advances in CHEMICAL PHYSICS; CONTENTS; Series Introduction; I. General Introduction; II. The Forward Trip: From the Hamiltonian to the Vibration-Rotation Spectrum; A. Introduction; B. The Forward Trip: An Ab Initio Approach; 1. Exact Quantum Mechanical Formulation; a. Full Molecular Hamiltonian; b. Born-Oppenheimer Separation; c. Translation-Free Hamiltonian; d. Vibration-Rotation Separation; 1. MOLECULAR AXIS SYSTEM (MAS); 2. ROTATION COORDINATES; 3. ECKART FRAME; 4. VIBRATION COORDINATES; e. Exact Vibration-Rotation Hamiltonian; 1. VIBRATION-ROTATION KINETIC ENERGY OPERATOR |
2. POTENTIAL-ENERGY SURFACE3. EXACT VIBRATION-ROTATION SCHRODINGER EQUATION; f. Variational Resolution of the Vibration-Rotation Schrodinger equation; 1. VARIATIONAL PRINCIPLE; 2. LINEAR VARIATIONAL METHOD; 3. CONFIGURATION INTERACTION METHOD; 4. DIAGONALISATION OF THE VIBRATION-ROTATION HAMILTONIAN; 5. |
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ENERGY SPECTRUM OF THE VIBRATION-ROTATION HAMILTONIAN; 6. VIBRATION-ROTATION TRANSITION ENERGIES; g. Vibration-Rotation Lines Intensities; 1 . OPTICAL VIBRATION-ROTATION TRANSITION PROBABILITIES; 2. ELECTRIC DIPOLE TRANSITION PROBABILITIES; 3. DIPOLE MOMENT SURFACE |
h. Full Ab Inirio Forward Trip2. Towards a Converged Ab Initio Approach; a. Setting the Ab Initio Approach; 1. NEED FOR A PES; 2. GENERAL PROBLEMS WITH PES AND DMS; b. Choice of a Coordinate System; 1. CRITERIA; 2. RECTILINEAR VERSUS CURVILINEAR COORDINATES; c. Selected Curvilinear Coordinates; 1. CURVILINEAR BOND-ANGLE COORDINATES; 2. LOCAL-MODE COORDINATES; 3. HELIOCENTRIC-TYPE COORDINATES; 4. ADAPTED STRETCHING COORDINATES; 5. POTENTIAL-ADAPTED COORDINATES; 6. ADAPTED BENDING COORDINATES; 7. OPTIMISED COORDINATES; 8. CURVILINEAR NORMAL COORDINATES; 9. TRANSFORMATION OF COORDINATES |
d. Approximate PES from Quantum Chemistry1. AB INITIO LEVEL OF CALCULATION; 2. ANALYTICAL EXPRESSION FOR THE PES; 3. ADJUSTMENT OF AN ANALYTICAL FUNCTION TO AB INITIO CALCULATED POINTS; 4. ANALYTICAL VERSUS NUMERICAL DERIVATIVES CALCULATIONS; 5. AB INlTIO DVR APPROACH; e. Ah initio Electric Dipole Moment Surfaces; f. Variational Methods; 1. CONTRACTION OR DIAGONALIZATION-TRUNCATION; 2. GENERAL MEAN-FIELD OPTIMIZATIONS; 3. THE VIBRATIONAL MULTICONFIGURATIONAL SCF METHOD; 4. DISCRETE-VARIABLE REPRESENTATION (DVR); 5. ADIABATIC APPROACHES |
6. MORSE OSCILLATOR RIGID BENDER INTERNAL DYNAMICS (MORBID) APPROACHg. Perturbation Theory Methods; 1. BASIC FORMULAS; 2. TREATMENT OF RESONATING STATES; 3. HIGH ORDER CANONICAL VAN VLECK PERTURBATION THEORY (CVPT); C. Acetylene: A Laboratory for Intramolecular Advances; 1. The Acetylene Molecule; a. Both Simple and Complex; b. Symmetry Properties; c. Topology of the Ground-State PES; d. Calculated Properties; e. Coordinate Systems; 1. 9D SYSTEMS; 2. 6D SYSTEMS; 3. SYMMETRY-ADAPTED COORDINATES; 4. RECTILINEAR NORMAL COORDINATES; 5. PLANAR 5D SYSTEMS |
f. Vibration-Rotation Hamiltonian for Acetylene |
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Sommario/riassunto |
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The latest in a series providing chemical physicists with a forum for critical, authoritative evaluations of advances in every area of the discipline, this stand-alone volume focuses on using high resolution molecular spectroscopy to arrive at global and accurate Vibration Hamiltonians. |
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2. |
Record Nr. |
UNINA9911022179303321 |
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Titolo |
The Social Epistemology of Engineered Agricultural Ecologies / / edited by Catherine Kendig, Paul B. Thompson |
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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 (XIII, 152 p. 9 illus.) |
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Collana |
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The International Library of Environmental, Agricultural and Food Ethics, , 2215-1737 ; ; 37 |
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Disciplina |
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Soggetti |
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Agriculture |
Applied ethics |
Technology - Philosophy |
Agricultural biotechnology |
Agricultural genome mapping |
Agricultural Ethics |
Philosophy of Technology |
Agricultural Biotechnology |
Agricultural Genetics |
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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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Nota di contenuto |
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Chapter 1: Introduction: Technological innovations in agriculture: a philosophy and sociology of science approach -- Chapter 2: What is soil, and what is it for? Social ontologies and social epistemologies of soil affordances and soil experiments -- Chapter 3:Dreaming the Butterfly: Engineered Ecologies and Fragile Futures -- Chapter 4: Agency and Relationships in Engineered Agricultural Ecologies -- Chapter 5: Treading Lightly, Agriculture, and Focality -- Chapter 6: Reframing Gene Editing in Crops: Unpacking Potential Solutions by Reconsidering the Questions Asked -- Chapter 7: Unpacking public engagement in agricultural biotechnology: the role of narratives and social epistemology in a deliberative workshop on gene editing in agriculture and food -- Chapter 8: A Risk-Based Agricultural Biotechnology Ethics in the Era of Gene Editing: What is New and What Is Not. |
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Sommario/riassunto |
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This open access collection of new interdisciplinary essays discusses philosophical and social implications of new biotechnologies, methods, and tools used in agriculture from a multispecies perspective. Contributors employ philosophy, sociology, and history of agriculture; agricultural ethics; philosophy of science; and science and technology studies to investigate agricultural research, farming practice, and agricultural policy. Chapters explore and critically discuss how mechanical, chemical, and genetic interventions reshape ecological relationships and agricultural knowledge by relying on case studies of interspecies interactions across different agriculturalized landscapes. These include careful examinations of the nature of dynamic causal relationships across microbial, macrobial, megaflora and faunal organismal communities; exploration of specific coevolved species of pollinators and field crops; and analyses of the epistemic and normative commitments that guide crop management decisions and shape methodological choices leading to the reengineering of land use. These analyses and case studies are intended to provide readers with a variety of conceptual tools through which the use of agricultural technologies might possibly be understood and debated . |
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3. |
Record Nr. |
UNINA9910147176103321 |
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Titolo |
Bienestar / / Organización Sanitas Internacional |
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Pubbl/distr/stampa |
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Santafé de Bogotá, Colombia, : Organización Sanitas Internacional |
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Descrizione fisica |
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Soggetti |
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Health |
Hygiene |
Beauty, Personal |
Periodicals. |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Periodico |
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Note generali |
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