Computer applications in chemical research and education: a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE)
Gespeichert in:
| Format: | Tagungsbericht Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Heidelberg
Hüthig
1989
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | Literaturverz. S. 387 - 411 |
| Beschreibung: | XIII, 449 S. Ill., graph. Darst. |
| ISBN: | 3778518046 |
Internformat
MARC
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| 245 | 1 | 0 | |a Computer applications in chemical research and education |b a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) |c ed. by Josef Brandt and Ivar K. Ugi |
| 264 | 1 | |a Heidelberg |b Hüthig |c 1989 | |
| 300 | |a XIII, 449 S. |b Ill., graph. Darst. | ||
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| 700 | 1 | |a Brandt, Josef |e Sonstige |4 oth | |
| 711 | 2 | |a International Conference on Computers in Chemical Research and Education |n 7 |d 1985 |c Garmisch-Partenkirchen |j Sonstige |0 (DE-588)2102556-3 |4 oth | |
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Datensatz im Suchindex
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| adam_text | IMAGE 1
COMPUTER APPLICATIONS IN CHEMICAL RESEARCH AND EDUCATION
EDITED BY JOSEF BRANDT AND IVAR K. UGI
A COLLECTION OF PAPERS BASED ON LECTURES THAT WERE PRESENTED AT THE
VLLTH INTERNATIONAL CONFERENCE ON COMPUTERS IN CHEMICAL RESEARCH AN
EDUCATION AT GARMISCH-PATENKIRCHEN (DE)
UNJVERSITATSBI8U07HFC* F HANNOVER TFCHNRNCHE INFORM! :R;-?I8S!3LIOTHBK
DR. ALFRED HTITHIG VERLAG HEIDELBERG
IMAGE 2
CONTENTS
PREFACE V
1 THE E IN ICCCRE 1
1.1 THE E IN ICCCRE 1
COMPUTATIONAL METHODS 7
2
COMPUTATIONAL CHEMISTRY IN INDUSTRY 9
2.1 OVERVIEW 9
2.2 INTRODUCTION 10
2.3 INFORMATION CIRCLE IN INDUSTRIAL RESEARCH 11
2.4 SUBSTANCE DOCUMENTATION 12
2.5 ACCESSIBILITY AND SYNTHESIS 14
2.5.1 REACTION RETRIEVAL 16
2.5.2 SYNTHESIS PLANNING 17
2.5.2.1 SYSTEMS WITH KNOWLEDGE BASES OF EMPIRICAL REACTIONS ... 17
2.5.2.2 SYSTEMS USING GENERAL REACTIONS . 18
2.6 QUANTUM CHEMICAL CALCULATIONS , 19
2.7 STRUCTURE-PROPERTY-RELATIONSHIPS 20
2.8 MOLECULAR MODELLING 21
2.9 INTEGRATION 23
2.10 TRENDS IN FUTURE DEVELOPMENTS 24
3 SUPERCOMPUTERS FOR CHEMICAL R&D 27
3.1 INTRODUCTION 27
3.2 STRATEGY 28
3.3 HISTORY 29
3.4 CONFIGURATION FOR 1CAP-1 AND 1CAP-2 31
3.5 SYSTEM CONSIDERATIONS 36
3.6 1CAP PRECOMPILER 38
3.7 APPLICATIONS AND PRACTICAL TESTS 39
3.8 PERFORMANCE 47
3.9 1CAP-3 47
3.10 DISCUSSION ON 1CAP CONFIGURATIONS 50
3.11 INTRODUCTION TO THE CONCEPT OF GLOBAL SIMULATION 52
3.12 QUANTUM MECHANICS AS THE FIRST SUBMODEL 54
3.13 STATISTICAL MECHANICS AS THE SECOND SUBMODEL 57
3.14 STRUCTURE FACTORS AND SOUND DISPERSION 69
3.15 FLUID DYNAMICAL ASPECTS AND MACROSCOPIC THEORY 71
3.16 CONCLUSION 80
IMAGE 3
CONTENTS
COMPUTATIONAL QUANTUM CHEMISTRY 81
4.1 OVERVIEW 81
4.2 AB INITIO CALCULATIONS 81
4.3 GROUND STATE POTENTIAL ENERGIES 85
4.4 EXCITED STATE SURFACES 88
4.5 EXCITED STATE LIFETIMES 95
4.6 SUMMARY AND CONCLUSION 99
MULTIVARIATE DATA ANALYSIS 101
5.1 OVERVIEW 101
5.2 INTRODUCTION 102
5.3 THE MULTIVARIATE APPROACH 103
5.3.1 GEOMETRICAL REPRESENTATION 103
5.3.2 CENTERING AND SCALING 107
5.4 PRINCIPAL COMPONENTS ANALYSIS (PCA) 107
5.4.1 EXAMPLE 1: PRINCIPAL PROPERTIES OF THE 20 CODED AMINO ACIDS ....
107 5.4.2 PC PLOTS 110
5.4.3 CROSS-VALIDATORY ESTIMATION OF THE DIMENSIONALITY, A 110
5.4.4 COMPUTATIONAL ASPECTS ILL
5.4.5 THE NUMBER OF VARIABLES AND THE NUMBER OF OBJECTS ILL
5.5 WAYS TO FORMULATE CHEMICAL PROBLEMS ILL
5.5.1 CLASSIFICATION ILL
5.5.2 THE FUNDAMENTAL (DEDUCTIVE) APPROACH 113
5.5.3 THE EMPIRICAL (INDUCTIVE) APPROACH 113
5.5.4 EXAMPLE 2, CLASSIFICATION OF BACTERIA BY DNA-FINGERPRINTING 113
5.6 SIMCA--DISJOINT PC-MODELS 113
5.7 CALIBRATION AND PLS 114
5.7.1 EXAMPLE 3. PATTERNS IN URINE HPLC DATA RELATED TO LEPRA 117 5.7.2
PARTIAL LEAST SQUARES MODELS IN LATENT VARIABLES (PLS) 121
5.7.3 PLS DISCRIMINANT PLOTS 121
5.7.4 SOME PLS BASICS 121
5.7.5 PLS MODEL ESTIMATION 123
5.7.6 PLS PREDICTIONS 123
5.7.7 EXAMPLE 4. PREDICTION OF THE BIOLOGICAL ACTIVITY OF PEPTIDES 123
5.8 CHEMICAL PROBLEM FORMULATION 125
5.9 CONCLUSIONS AND DISCUSSION 125
MULTIVARIATE CALIBRATION 129
6.1 OVERVIEW 129
6.2 INTRODUCTION 129
6.2.1 TUNING OF INSTRUMENTS AND LISTENING TO MUSIC 129
6.2.2 DO COMPUTERIZED INSTRUMENTS CREATE TOO MUCH DATA? 130 6.2.3
PLAYING ONLY ONE STRING ON THE HARP 131
6.2.4 PLAY ALL THE STRINGS ON SEVERAL INSTRUMENTS 132
6.3 MULTIVARIATE CALIBRATION 134
6.3.1 DIFFERENT APPROACHES TO MULTIVARIATE CALIBRATION 134
6.3.2 PLS REGRESSION: A NICE WAY TO DO THE CALIBRATION 140
6.4 UNSCRAMBLER-PROGRAM 141
6.4.1 SEPARATING LIGHT SCATTERING FROM LIGHT ABSORPTION BY STANDARDIZING
AGAINST THE NIR ABSORPTION OF THE SOLVENT 141
IMAGE 4
CONTENTS IX
6.4.2 DISCOVER UNEXPECTED ERRORS BY THE USE OF SEEMINGLY UNNECESSARY EX
TRA X-VARIABLES 144
6.4.3 REDUCING THE NEED FOR SAMPLE STANDARDIZATION BY COMPENSATING FOR
UNCONTROLLABLE VARIATIONS IN THE MEASUREMENTS 144
6.4.4 COMPENSATING FOR INSTRUMENT TROUBLE BY UNSCRAMBLING 148 6.4.5
BIOTECHN. PROCESS CONTROL 150
6.4.6 IMAGE ANALYSIS 156
6.5 MULTIVARIATE CALIBRATION 158
6.5.1 PROGRAM DESCRIPTION 158
6.6 APPLICATIONS OF THE UNSCRAMBLER 160
6.7 CONCLUSION: POWERFUL TOOLS 160
EXPERT SYSTEMS 163
7 ARTIFICIAL INTELLIGENCE 165
7.1 OVERVIEW 165
7.2 PROBLEM-SOLVING-EXPERTISE 167
7.3 LOGICAL REASONING 174
7.4 DEDUCTIVE SYSTEMS 175
7.5 PROCESSING SENSORY DATA, ESP. VISUAL IMAGES 176
7.6 INTELLIGENT COMPUTER-ASSISTED INSTRUCTION IN CHEMISTRY 176
7.7 PROCESSING NATURAL LANGUAGES 177
7.8 CONCLUSIONS 177
8 SIMILARITY AS AN ORGANIZING PRINCIPLE 179
8.1 BACKGROUND AND RATIONALE 179
8.2 THE REASONING OF CHEMISTS 180
8.3 SIMILARITY-IN GENERAL 181
8.4 SIMILARITIES IN CHEMISTRY 184
8.5 DESIGN PRINCIPLES OF CHEMIS 186
8.6 THE EMPIRICAL BASE 187
8.7 CHEMIS-1: OUTLINE 188
8.8 CHEMIS-2: STRUCTURE AND PURPOSE 195
8.9 SOME CONCEPTS 196
8.10 IJ-MASKS AND REACTIVE SIMILARITIES 197
8.11 FROM SETS TO CLASSES: GENERATING HPOTHESES 199
8.12 RULE BASE AND INFERENCE MACHINE 204
8.13 GROWING A RULE BASE 206
8.14 HANDLING EXCEPTIONS 208
8.15 CONCLUSIONS 208
9 REASONING WITH TOPOLOGY AND INFORMATICS 211
9.1 INTRODUCTION 211
9.2 THE IMPACT OF INFORMATICS 211
9.3 CHEMISTRY IN THE INFORMATIC ERA 214
9.4 DARC TOPOLOGICAL SYSTEM IN CHEMISTRY 214
9.4.1 CHEMICAL COMPLEXITY AND THE COMPUTER 215
9.4.2 MOLECULAR COMPUTER GRAPHICS AND ARTIFICIAL INTELLIGENCE 215 9.5
ORCHESTRATING DIFFERENT APPROACHES 216
9.5.1 GEM-6 EFFECT 218
9.5.1.1 SPECTROSCOPIC DATA CORRELATION 218
IMAGE 5
X CONTENTS
9.5.1.2 CRYSTALLOGRAPHIC DATA ANALYSYS 218
9.5.1.2.1 SHAPE DISTORTION 218
9.5.1.2.2 DYNAMICS OF THE GEM-6 SYSTEM 220
9.5.1.3 THEORETICAL APPROACH 222
9.5.2 ANOMERIC EFFECT 222
9.5.2.1 CHEMICAL EQUILIBRIUMANOMALIES 222
9.5.2.2 ANALYSIS OF CRYSTALLOGRAPHIC DATA 223
9.5.2.2.1 SHAPE ANALYSIS 223
9.5.2.2.2 SHAPE POTENTIALITY, HEURISTIC CORRELATIONS 225 9.5.2.3 QUANTUM
SIMULATION 226
9.6 CONCLUSION 227
10 TUTORS: MOLECULAR DESIGN 229
10.1 INTRODUCTION 229
10.2 OUTLINE OF THE SYSTEM 229
10.3 TUTORS-DB SUBSYSTEM: DATA MANAGEMENT DIVISION 230
10.3.1 MOLECULAR INPUT (MOLIN) 231
10.3.2 STRUCTURE RETRIEVAL MODULE (RETRIEV) 236
10.3.3 MOLECULAR MODELING (BUILD3D) 236
10.3.4 MOLECULAR DISPLAY (MOLEC) 237
10.3.5 THREE DIMENSIONAL STRUCTURE EDITOR (EDITOR) 238
10.3.6 DATABASE MANAGEMENT UTILITY (DBUT1L) 239
10.4 TUTORS-DB SUBSYSTEM: DATA ANALYSIS DIVISION 239
10.4.1 PATTERN RECOGNITION AND QSAR 239
10.4.2 AUTOMATIC RECOGNITION OF THE MAXIMAL COMMON SUBSTRUCTURES
(MAXFIT) 240
10.4.3 CALCULATION OF MOLECULAR ORBITALS AND MOLECULAR MECHANICS 242
10.5 CONCLUSIONS 242
11 LABORATORY MANAGEMENT: LIMS 245
11.1 INTRODUCTION 245
11.2 MANAGEMENT DECISIONS, OPTIONS 248
11.3 THE MODELING CYCLE 250
11.4 LIMS ALIKE SYSTEMS 251
11.5 FEASIBILITY STUDY 255
11.6 FUTURE DEVELOPMENTS . 271
INFORMATION METHODOLOGY 273
12 COMPUTER MANAGEMENT OF DATA BASES 275
12.1 INTRODUCTION 275
12.2 INFORMATION SOURCES OF THE DATABASE 275
12.3 THE DATABASE CONCEPT 277
12.4 DATABASE ACCESS 277
13 CHEMICAL INFORMATION ACTIVITIES 281
13.1 INTRODUCTION 281
13.2 DATA 281
13.3 SPECTROSCOPY 282
13.3.1 MASS SPECTRAL DATA 282
13.3.2 INFRARED SPECTRAL DATA 284
IMAGE 6
XI
13.3.3 NUCLEAR MAGNETIC RESONANCE SPECTRAL DATA 285
13.3.4 ULTRAVIOLET AND VISIBLE SPECTRAL DATA 286
13.3.5 RAMAN SPECTRAL DATA 286
13.4 MOSSBAUER SPECTRAL DATA 286
13.5 TOXICOLOGY AND ENVIRONMENT DATABASES 286
13.5.1 REGISTRY OF TOXIC EFFECTS OF CHEMICAL SUBSTANCES (RTECS) DATABASE
. 286 13.5.2 NATIONAL LIBRARY OF MEDICINE TOXICOLOGY DATA BASE 287
13.5.3 SCIENTIFIC PARAMETERS IN HEALTH AND THE ENVIRONMENT (SPHERE)
DATABASES 287
13.5.4 GENETOX DATABASE 287
13.5.5 DERMAL ABSORPTION (DERMAL) DATABASE 287
13.5.6 AQUATIC INFORMATION RETRIEVAL (AQUIRE) DATABASE 288
13.5.7 ENVIRONMENTAL FATE (ENVIROFATE) DATABASE 288
13.5.8 INFORMATION SYSTEM FOR HAZARDOUS ORGANICS IN WATER (ISHOW)
DATABASE 288
13.5.9 CHEMICAL CARCINOGENESIS RESEARCH INFORMATION SYSTEM (CCRIS)
DATABASE 289
13.5.10OII AND HAZARDOUS MATERIALS-TECHNICAL ASSISTANCE DATA SYSTEM
(OHMTADS) 289
13.6 PHYSICAL/CHEMICAL DATABASES 289
13.6.1 X-RAY CRYSTALLOGRAPHIC DATABASE 289
13.6.2 X-RAY CRYSTAL DATABASE 290
13.6.3 X-RAY INORGANIC CRYSTAL DATABASE 290
13.6.4 X-RAY POWDER DIFFRACTION DATABASE 290
13.7 BIOCHEMICAL/BIOLOGICAL DATABASES 291
13.7.1 GENBANK DATABASE 291
13.7.2 EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) DATABASE 291 13.7.3
PROTEIN INFORMATION RESOURCE (PIR) DATABASE 291
13.7.4 PGTANS DATABASE 292
13.7.5 PARTITION COEFFICIENT DATABASE 292
13.7.6 SOLUBILITY DATA SERIES DATABASE 292
13.7.7 SUMMARY OF NUMERIC DATABASE ACTIVITY 292
13.8 FUTURE DIRECTIONS 294
13.8.1 COMPUTER SOFTWARE 295
13.8.2 COMPUTER HARDWARE 296
13.8.3 NETWORKS 297
13.8.4 SYSTEM/ORGANIZATIONS 297
13.9 SUMMARY 298
14 NON-NUMERICAL DATA PROCESSING 301
14.1 OVERVIEW 301
14.2 CHEMISTRY AND EDP 301
14.3 THE CONCEPT OF STRUCTURE 302
14.3.1 STRUCTURAL FORMULAE 302
14.3.2 TOPOLOGICAL STRUCTURES 302
14.3.3 SUBSTRUCTURE QUERIES 304
14.3.4 NON-CHEMICAL APPLICATIONS 304
14.4 OUR CONCEPTUAL WORLD 304
14.4.1 SEMANTIC ADDRESSING 308
14.4.2 CONTENT ADDRESSING 310
IMAGE 7
XII
CONTENTS
14.4.3 ASSOCIATIVE MEMORIES 310
14.4.4 SUPERIMPOSED CODING
313
14.4.5 FREE FIELD CODING
314
14.4.6 ARRAY PROCESSORS
314
14.5 EXPERT SYSTEMS
315
14.6 CHEMISTRY AND INFORMATION PROCESSING
315
15 SEARCHING GENERIC CHEMICAL STRUCTURES 317
15.1 INTRODUCTION 317
15.2 GENSAL-EXTERNAL REPRESENTATION 323
15.3 EXTENDED CONNECTION TABLE 324
15.4 GENERAL SEARCH CONSIDERATIONS 326
15.5 TOPOGRAM-CHEMICAL GRAMMAR 327
15.6 FRAGMENT SCREEN SEARCHING 328
15.7 RELAXATION SEARCHING 332
15.8 REDUCED GRAPHS 337
15.9 CONCLUSIONS 338
16 JAMES DUGUNDJI S CONTRIBUTION TO CHEMISTRY 345
16.1 JAMES DUGUNDJI 345
16.2 MATHEMATICS IN PHYSICS AND CHEMISTRY 346
16.3 LOGICAL STRUCTURE OF CHEMISTRY
347
16.4 CONSTITUTIONAL CHEMISTRY 348
16.4.1 THE THEORY OF THE BE- AND IJ-MATRICES 348
16.4.2 COMPUTER ASSISTANCE IN THE SOLUTION OF CHEMICAL PROBLEMS 350 16.5
STEREOCHEMISTRY 354
16.5.1 A MODERN UNIFIED THEORY OF STEREOCHEMISTRY 354
16.5.2 CONCEPTUAL FOUNDATIONS OF STEREOCHEMISTRY 355
16.5.3 THE THEORY OF CHEMICAL IDENTITY 357
16.5.3.1 FAMILIES OF PERMUTATION ISOMERS 357
16.5.3.2 THE CHEMICAL IDENTITY GROUP 357
16.5.3.3 PARTITIONS, COVERINGS AND SET VALUED MAPPINGS 361
16.6 THE THEORY OF CHEMICAL IDENTITY GROUPS 364
16.7 CONCLUSIONS 365
17 PROCESSING OF GRAPHICAL INFORMATION 367
17.1 CREATION OF CHEMICAL DATA BASES 367
17.2 INPUT OF STRUCTURAL FORMULAS 367
17.3 STRUCTURE-PROPERTY BASES 371
17.3.1 THE MASS SPECTRA DATA FILE 371
17.4 INTERPRETATION OF 13-C-NMR SPECTRA 372
17.4.1 SIMULTANEOUS USE OF DIFFERENT SPECTRA 374
17.4.2 COMPUTERIZED PMR SPECTRA RETRIEVAL SYSTEM 374
17.4.3 IR SPECTRA 374
17.5 GRAPHICAL INFORMATION FROM PRINT 378
17.5.1 PROBLEMS OF RECORDING AND STORING GRAPHICAL CHEMICAL INFORMATION
. 378 17.6 COMBINED SYSTEMS 380
17.6.1 MAIN APPROACHES FOR THE DESIGN OF COMPUTER-AIDED SYSTEMS 382
17.7 STRUCTURE-PROPERTY DB S PLUS CALCULATION PROGRAMS 382
17.8 SYNTHESIS DESIGN 386
IMAGE 8
CONTENTS XIII
17.9 OTHER PROBLEMS, EDUCATION 386
BIBLIOGRAPHY 387
LIST OF TABLES 413
LIST OF FIGURES 415
INDEXES 421
PERSONS, 421
SUBJECTS 431
|
| any_adam_object | 1 |
| building | Verbundindex |
| bvnumber | BV001804233 |
| classification_rvk | ST 370 VC 5200 VC 6108 VC 6400 |
| classification_tum | CHE 020f |
| ctrlnum | (OCoLC)230980397 (DE-599)BVBBV001804233 |
| dewey-full | 542/.85416 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 542 - Techniques, equipment & materials |
| dewey-raw | 542/.85416 |
| dewey-search | 542/.85416 |
| dewey-sort | 3542 585416 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Informatik Chemie |
| format | Conference Proceeding Book |
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| genre | (DE-588)1071861417 Konferenzschrift 1985 Garmisch-Partenkirchen gnd-content |
| genre_facet | Konferenzschrift 1985 Garmisch-Partenkirchen |
| id | DE-604.BV001804233 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T15:36:11Z |
| institution | BVB |
| institution_GND | (DE-588)2102556-3 |
| isbn | 3778518046 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-001211541 |
| oclc_num | 230980397 |
| open_access_boolean | |
| owner | DE-12 DE-91G DE-BY-TUM DE-384 DE-355 DE-BY-UBR DE-634 DE-83 |
| owner_facet | DE-12 DE-91G DE-BY-TUM DE-384 DE-355 DE-BY-UBR DE-634 DE-83 |
| physical | XIII, 449 S. Ill., graph. Darst. |
| publishDate | 1989 |
| publishDateSearch | 1989 |
| publishDateSort | 1989 |
| publisher | Hüthig |
| record_format | marc |
| spelling | Computer applications in chemical research and education a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) ed. by Josef Brandt and Ivar K. Ugi Heidelberg Hüthig 1989 XIII, 449 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Literaturverz. S. 387 - 411 Anwendung (DE-588)4196864-5 gnd rswk-swf Chemie (DE-588)4009816-3 gnd rswk-swf Chemieunterricht (DE-588)4009832-1 gnd rswk-swf Computerunterstützter Unterricht (DE-588)4070087-2 gnd rswk-swf Computer (DE-588)4070083-5 gnd rswk-swf Datenverarbeitung (DE-588)4011152-0 gnd rswk-swf (DE-588)1071861417 Konferenzschrift 1985 Garmisch-Partenkirchen gnd-content Chemie (DE-588)4009816-3 s Computer (DE-588)4070083-5 s Anwendung (DE-588)4196864-5 s DE-604 Chemieunterricht (DE-588)4009832-1 s Computerunterstützter Unterricht (DE-588)4070087-2 s Datenverarbeitung (DE-588)4011152-0 s Brandt, Josef Sonstige oth International Conference on Computers in Chemical Research and Education 7 1985 Garmisch-Partenkirchen Sonstige (DE-588)2102556-3 oth GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=001211541&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Computer applications in chemical research and education a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) Anwendung (DE-588)4196864-5 gnd Chemie (DE-588)4009816-3 gnd Chemieunterricht (DE-588)4009832-1 gnd Computerunterstützter Unterricht (DE-588)4070087-2 gnd Computer (DE-588)4070083-5 gnd Datenverarbeitung (DE-588)4011152-0 gnd |
| subject_GND | (DE-588)4196864-5 (DE-588)4009816-3 (DE-588)4009832-1 (DE-588)4070087-2 (DE-588)4070083-5 (DE-588)4011152-0 (DE-588)1071861417 |
| title | Computer applications in chemical research and education a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) |
| title_auth | Computer applications in chemical research and education a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) |
| title_exact_search | Computer applications in chemical research and education a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) |
| title_full | Computer applications in chemical research and education a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) ed. by Josef Brandt and Ivar K. Ugi |
| title_fullStr | Computer applications in chemical research and education a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) ed. by Josef Brandt and Ivar K. Ugi |
| title_full_unstemmed | Computer applications in chemical research and education a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) ed. by Josef Brandt and Ivar K. Ugi |
| title_short | Computer applications in chemical research and education |
| title_sort | computer applications in chemical research and education a collection of papers based on lectures that were presented at the viith international conference on computers in chemical research and education at garmisch partenkirchen de |
| title_sub | a collection of papers based on lectures that were presented at the VIIth International Conference on Computers in Chemical Research and Education at Garmisch-Partenkirchen (DE) |
| topic | Anwendung (DE-588)4196864-5 gnd Chemie (DE-588)4009816-3 gnd Chemieunterricht (DE-588)4009832-1 gnd Computerunterstützter Unterricht (DE-588)4070087-2 gnd Computer (DE-588)4070083-5 gnd Datenverarbeitung (DE-588)4011152-0 gnd |
| topic_facet | Anwendung Chemie Chemieunterricht Computerunterstützter Unterricht Computer Datenverarbeitung Konferenzschrift 1985 Garmisch-Partenkirchen |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=001211541&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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