Perspectives on theoretical chemistry: five decades of theoretical chemistry accounts and Theoretica chimica acta
Gespeichert in:
| Weitere beteiligte Personen: | |
|---|---|
| Format: | Buch |
| Sprache: | Englisch |
| Veröffentlicht: |
Berlin [u.a.]
Springer
2012
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| Schlagwörter: | |
| Links: | http://deposit.dnb.de/cgi-bin/dokserv?id=3968465&prov=M&dok_var=1&dok_ext=htm http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=025418844&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| Beschreibung: | Literaturangaben. Original publ. in Theor. Chem. Acc., Vol. 131(2012)1 |
| Umfang: | VI, 224 S. graph. Darst. 29 cm |
| ISBN: | 9783642284441 3642284442 |
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Datensatz im Suchindex
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|---|---|
| adam_text | IMAGE 1
CONTENTS
FIFTY YEARS O F TCA 1
CHRISTOPHER J. CRAMER
COMPUTATIONAL MODELING O F EXTENDED SYSTEMS 7
GINO A. DILABIO
NANOPARTICLE MORPHOLOGY AND ASPECT RATIO EFFECTS IN AG/PVDF
NANOCOMPOSITES 9 CHRISTOPHER K. ROWAN, IRINA PACI
TOWARD AB INITIO REFINEMENT O F PROTEIN X-RAY CRYSTAL STRUCTURES:
INTERPRETING AND CORRELATING STRUCTURAL FLUCTUATIONS 21
OLLE FALKLOF, CHARLES A. COLLYER, JEFFREY R. REIMERS
CONDUCTION MODULATION O F ^-STACKED ETHYLBENZENE WIRES ON SI(100) WITH
SUBSTITUENT GROUPS 37
MANUEL SMEU, ROBERT A. WOLKOW, HONG G U O
THEORETICAL CHARACTERIZATION O F REACTION DYNAMICS IN THE GAS PHASE AND
AT INTERFACES 45
HUA GUO
CALCULATION O F THE ZERO-POINT ENERGY FROM IMAGINARY-TIME QUANTUM
TRAJECTORY DYNAMICS IN CARTESIAN COORDINATES 49
SOPHYA GARASHCHUK
TIME-DEPENDENT WAVE PACKET PROPAGATION USING QUANTUM HYDRODYNAMICS 59
BRIAN K. KENDRICK
DYNAMICS O F COLLISIONS O F HYDROXYL RADICALS WITH FLUORINATED
SELF-ASSEMBLED MONOLAYERS 79
DIEGO TROYA
A FULL-DIMENSIONAL TIME-DEPENDENT WAVE PACKET STUDY O F THE OH + CO 11
+ C 0 2 REACTION 91
SHU LIU, XIN XU, DONG H. ZHANG
ELECTRONIC STRUCTURE THEORY: PRESENT AND FUTURE CHALLENGES 99
SO HIRATA
ELECTRON CORRELATION METHODS BASED ON THE RANDOM PHASE APPROXIMATION 103
HENK ESHUIS, JEFFERSON E. BATES, FILIPP FURCHE
V
HTTP://D-NB.INFO/1019304642
IMAGE 2
CONTENTS
UNIFORM ELECTRON GASES 121
PETER M.W. GILL, PIERRE-FRANCIS LOOS
EXPLICITLY CORRELATED WAVE FUNCTIONS: SUMMARY AND PERSPECTIVE 131
SEIICHIRO TEN-NO
THEORETICAL CHEMISTRY: CURRENT APPLICATIONS TO PHOTOCHEMISTRY AND
THERMOCHEMISTRY 143
FERNANDO R. ORNELLAS
ELECTRONICALLY EXCITED STATES AND PHOTODYNAMICS: A CONTINUING CHALLENGE
147 FELIX PLASSER, MARIO BARBATTI, ADELIA J.A. AQUINO, HANS LISCHKA
CHEMICAL ACCURACY IN AB INITIO THERMOCHEMISTRY AND SPECTROSCOPY: CURRENT
STRATEGIES AND FUTURE CHALLENGES 161
KIRK A. PETERSON, DAVID FELLER, DAVID A. DIXON
NEGATIVE ENERGY STATES IN RELATIVISTIC QUANTUM CHEMISTRY 181
CHRISTOPH VAN WULLEN
FULLY RELATIVISTIC THEORIES AND METHODS FOR NMR PARAMETERS 187
YUNLONG XIAO, QIMING SUN, WENJIAN LIU
EXACT DECOUPLING O F THE RELATIVISTIC FOCK OPERATOR 205
DAOLING PENG, MARKUS REIHER
V I
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| any_adam_object | 1 |
| author2 | Cramer, Christopher J. 1961- |
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| dewey-full | 541.2 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541.2 |
| dewey-search | 541.2 |
| dewey-sort | 3541.2 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| format | Book |
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| illustrated | Illustrated |
| indexdate | 2024-12-20T16:18:06Z |
| institution | BVB |
| isbn | 9783642284441 3642284442 |
| language | English |
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| physical | VI, 224 S. graph. Darst. 29 cm |
| publishDate | 2012 |
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| publisher | Springer |
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| spellingShingle | Perspectives on theoretical chemistry five decades of theoretical chemistry accounts and Theoretica chimica acta Theoretische Chemie (DE-588)4185098-1 gnd |
| subject_GND | (DE-588)4185098-1 (DE-588)4143413-4 |
| title | Perspectives on theoretical chemistry five decades of theoretical chemistry accounts and Theoretica chimica acta |
| title_auth | Perspectives on theoretical chemistry five decades of theoretical chemistry accounts and Theoretica chimica acta |
| title_exact_search | Perspectives on theoretical chemistry five decades of theoretical chemistry accounts and Theoretica chimica acta |
| title_full | Perspectives on theoretical chemistry five decades of theoretical chemistry accounts and Theoretica chimica acta Christopher J. Cramer ... ed. |
| title_fullStr | Perspectives on theoretical chemistry five decades of theoretical chemistry accounts and Theoretica chimica acta Christopher J. Cramer ... ed. |
| title_full_unstemmed | Perspectives on theoretical chemistry five decades of theoretical chemistry accounts and Theoretica chimica acta Christopher J. Cramer ... ed. |
| title_short | Perspectives on theoretical chemistry |
| title_sort | perspectives on theoretical chemistry five decades of theoretical chemistry accounts and theoretica chimica acta |
| title_sub | five decades of theoretical chemistry accounts and Theoretica chimica acta |
| topic | Theoretische Chemie (DE-588)4185098-1 gnd |
| topic_facet | Theoretische Chemie Aufsatzsammlung |
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