Non-adiabatic effects in chemical dynamics: University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004]
Saved in:
| Format: | Book |
|---|---|
| Language: | English |
| Published: |
London
Royal Soc. of Chemistry
2004
|
| Series: | Faraday discussions
127 |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | 473 S. Ill., zahlr. graph. Darst. |
| ISBN: | 0854049924 |
Staff View
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Record in the Search Index
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| adam_text | NON-ADIABATIC EFFECTS IN CHEMICAL DYNAMICS UNIVERSITY OF OXFORD APRIL
5-7, 2004 BCM TU DARMSTADT 50112 RS»C A GENERAL DISCUSSION ON
NON-ADIABATIC EFFECTS IN CHEMICAL DYNAMICS A GENERAL DISCUSSION ON
NON-ADIABATIC EFFECTS IN CHEMICAL DYNAMICS, WAS HELD AT THE UNIVERSITY
OF OXFORD, UK ON 5TH, 6TH AND 7TH APRIL 2004. V COVER SEE W. FUFI, W.
RETTIG, W. E. SCHMID, S. A. TRUSHIN AND T. YATSUHASHI, P. 23. TO
DESCRIBE HOW AN ELECTRONICALLY EXCITED MOLECULE FINDS ITS WAY TO A LOWER
STATE, THE TRADITIONAL APPROACH ASSUMED A VERTICAL TRANSITION, GOVERNED
BY MATRIX ELEMENTS AND DENSITIES OF STATES. THE MORE MODERN PATHWAY
APPROACH ASSUMES LARGE DISTORTIONS OF THE MOLECULE, USUALLY CONNECTED
WITH PHOTOCHEMICAL REACTIONS, AND TRIES TO FOLLOW THE PATH OF A WAVE
PACKET ON THE POTENTIAL ENERGY SURFACES. FEMTOSECOND SPECTROSCOPY ALLOWS
US TO MONITOR THIS PATH. THE LAST SLOPE OFTEN (ALSO IN THE GIVEN CASE)
STIMULATES VIBRATIONS IN THE FINAL POTENTIAL WELL. IF THEY ARE
IDENTIFIED, THEY GIVE A COMPONENT OF THE REACTION COORDINATE. THE
INVESTIGATED CASE IS A CHARGE- TRANSFER REACTION BETWEEN- TWO EXCITED
STATES. THE ARROWS SHOW, AFTER PAS- SING THROUGH A CONICAL INTERSECTION,
BRANCHING OF THE PATH, ONE BRANCH MAKING A DETOUR (RIGHT-HAND SIDE) VIA
TH E CHARGE-TRANSFER STATE; VIBRATIONS ARE OBSERVED IN THE FINAL
POTENTIAL WELL THAT HAS DOUBLE MINIMA ALONG TWO COORDINATES. IMAGE
KINDLY SUPPLIED BY DR WERNER FUC, MAX-PLANCK-INSTITUT FIIR QUANTENOPTIK,
GARCHING, GERMANY. CONTENTS 1 INTRODUCTORY LECTURE: NONADIABATIC EFFECTS
IN CHEMICAL DYNAMICS AHREN W. JASPER, CHAOYUAN ZHU, SHIKHA NANGIA AND
DONALD G. TRUHLAR 23 ULTRAFAST TEMPORARY CHARGE TRANSFER IN
PYRROLIDINYL-BENZONITRILE AND PYRROLYL-BENZONITRILE IN THE GAS PHASE
WERNER FUB, WOLFGANG RETTIG, WOLFRAM E. SCHMID, SERGEI A. TRUSHIN AND
TOMOYUKI YATSUHASHI 35 REGULARIZED DIABATIC STATES AND QUANTUM DYNAMICS
ON INTERSECTING POTENTIAL ENERGY SURFACES H. KOPPEL 49 A
RESONANCE-MEDIATED NON-ADIABATIC REACTION: F*( 2 P]/ 2 ) + HD * HF(V =
3) + D SHIH-HUANG LEE, FENG DONG AND KOPIN LIU 59 DETAILS AND
CONSEQUENCES OF THE NONADIABATIC COUPLING IN THE C1( 2 P) + H 2 REACTION
MILLARD H. ALEXANDER, GABRIELLA CAPECCHI AND HANS-JOACHIM WERNER 73
TARGET ISOTOPE EFFECTS FOR VIBRATIONALLY-RESOLVED ELECTRON CAPTURE IN
LOW-ENERGY COLLISIONS OF O 3+ WITH MOLECULAR HYDROGEN P. C. STANCIL, J.
G. WANG, A. R. TURNER AN D D. L. COOPER 81 GENERAL DISCUSSION 123 RAPID
TIMESCALE PROCESSES AND THE ROLE OF ELECTRONIC SURFACE COUPLING IN THE
PHOTOLYSIS OF DIATOMIC LIGANDS FROM HEME PROTEINS PAUL M. CHAMPION,
FLORIN ROSCA, DAN IONASCU, WENXIANG CAO AND XIONG YE 137 STRICKLER-BERG
ANALYSIS OF EXCITED SINGLET STATE DYNAMICS IN DNA AND RNA NUCLEOSIDES
BOIKO COHEN, CARLOS E. CRESPO-HERNANDEZ AND BERN KOHLER THIS JOURNAL IS
THE ROYAL SOCIETY OF CHEMISTRY 2004 149 CONICAL INTERSECTION DYNAMICS
IN SOLUTION: THE CHROMOPHORE OF GREEN FLUORESCENT PROTEIN A. TONIOLO, S.
OLSEN, L. MANOHAR AND T. J. MARTINEZ 165 SPIN-FORBIDDEN CO LIGAND
RECOMBINATION IN MYOGLOBIN JEREMY V N. HARVEY 179 STRUCTURE OF THE
INTERSECTION SPACE ASSOCIATED WITH Z/E PHOTOISOMERIZATION OF RETINAL IN
RHODOPSIN PROTEINS ANNAPAOLA MIGANI, ADALGISA SINICROPI, NICOLAS FERRE,
ALESSANDRO CEMBRAN, MARCO GARAVELLI AND MASSIMO OLIVUCCI 193
NON-ADIABATIC INTRAMOLECULAR AND PHOTODISSOCIATION DYNAMICS STUDIED BY
FEMTOSECOND TIME-RESOLVED PHOTOELECTRON AND COINCIDENCE IMAGING
SPECTROSCOPY O. GEBNER, E. T.-H. CHRYSOSTOM, A. M. D. LEE, D. M.
WARDLAW, M.-L. HO, S.-J. LEE, B.-M. CHENG, M. Z. ZGIERSKI, I.-C. CHEN,
J. P. SHAFFER, C. C. HAYDEN AND A. STOLOW 213 EXPERIMENTAL OBSERVATION
OF COMPETING PATHWAYS IN THE RELAXATION OF IC1* IN A HE SUPERSONIC
EXPANSION JOSHUA P. DARR AND RICHARD A. LOOMIS 227 GENERAL DISCUSSION
267 PHOTODISSOCIATION DYNAMICS OF PYRROLE: EVIDENCE FOR MODE SPECIFIC
DYNAMICS FROM CONICAL INTERSECTIONS J. WEI, J. RIEDEL, A. KUCZMANN, F.
RENTH AND F. TEMPS 283 TIME-DEPENDENT QUANTUM WAVE-PACKET DESCRIPTION OF
THE RCA* PHOTOCHEMISTRY OF PYRROLE VALERIE VALLET, ZHENGGANG LAN,
SUSANTA MAHAPATRA, ANDRZEJ SOBOLEWSKI AND WOLFGANG DOMCKE 295 NEW
PARADIGM OF TRANSITION METAL POLYPYRIDINE COMPLEX PHOTOCHEMISTRY JOHAN
ANDERSSON, FAUSTO PUNTORIERO, SCOLASTICA SERRONI, ARKADY YARTSEV,
TORBJORN PASCHER, TOMAS POLIVKA, SEBASTIANO CAMPAGNA AND VILLY SUNDSTROM
307 A NOVEL ALGORITHM FOR NON-ADIABATIC DIRECT DYNAMICS USING
VARIATIONAL GAUSSIAN WAVEPACKETS G. A. WORTH, M. A. ROBB AND I.
BURGHARDT 325 MARCHING ALONG RIDGES. AN EXTRAPOLATABLE APPROACH TO
LOCATING CONICAL INTERSECTIONS DAVID R. YARKONY 337 ON DIABATIZATION AND
THE TOPOLOGICAL Z)-MATRIX: THEORY AND NUMERICAL STUDIES OF THE H + H 2
SYSTEM AND THE C 2 H 2 MOLECULE M. BAER, T. VE RTESI, G. J. HALASZ, A.
VIBOK AND S. SUHAI 355 GENERAL DISCUSSION 383 TIME RESOLVED SOLVENT
REARRANGEMENT DYNAMICS TODD SANFORD, DJANGO ANDREWS, JEFF RATHBONE, MARK
TAYLOR, FELICIAN MUNTEAN, MATTHEW THOMPSON, ANNE B. MCCOY, ROBERT PARSON
AND W. CARL LINEBERGER 395 ENVIRONMENTAL EFFECTS ON A CONICAL
INTERSECTION: A MODEL STUDY IRENE BURGHARDT, LORENZ S. CEDERBAUM AND
JAMES T. HYNES 413 TRIATOMIC DISSOCIATIVE RECOMBINATION THEORY:
JAHN-TELLER COUPLING AMONG INFINITELY MANY BOM-OPPENHEIMER SURFACES
VIATCHESLAV KOKOOULINE AND CHRIS H. GREENE 425 EXTRAORDINARY BRANCHING
RATIOS IN ASTROPHYSICALLY IMPORTANT DISSOCIATIVE RECOMBINATION REACTIONS
WOLF D. GEPPERT, RICHARD THOMAS, ANNELI EHLERDING, JACEK SEMANIAK,
FABIAN OSTERDAHL, MAGNUS AF UGGLAS, NADA DJURIC, ANDRAS PAAL AND MATS
LARSSON 439 NONADIABATIC COUPLING AND VECTOR CORRELATION IN DISSOCIATION
OF TRIATOMIC HYDROGEN U. GALSTER, U. MULLER, M. JUNGEN AND H. HELM 445
GENERAL DISCUSSION 463 CONCLUDING REMARKS. NON-ADIABATIC EFFECTS IN
CHEMICAL DYNAMICS JOHN C. TULLY 467 LIST OF POSTERS 471 LIST OF
PARTICIPANTS 473 INDEX OF CONTRIBUTORS THIS JOURNAL IS THE ROYAL
SOCIETY OF CHEMISTRY 2004
|
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| id | DE-604.BV019406397 |
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| indexdate | 2024-07-09T19:59:35Z |
| institution | BVB |
| isbn | 0854049924 |
| language | English |
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| physical | 473 S. Ill., zahlr. graph. Darst. |
| publishDate | 2004 |
| publishDateSearch | 2004 |
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| publisher | Royal Soc. of Chemistry |
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| series | Faraday discussions |
| series2 | Faraday discussions |
| spelling | Non-adiabatic effects in chemical dynamics University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004] [Werner Fuß ...] London Royal Soc. of Chemistry 2004 473 S. Ill., zahlr. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Faraday discussions 127 Nichtadiabatischer Prozess (DE-588)4799351-0 gnd rswk-swf Reaktionskinetik (DE-588)4048655-2 gnd rswk-swf (DE-588)1071861417 Konferenzschrift 2004 Oxford gnd-content Reaktionskinetik (DE-588)4048655-2 s Nichtadiabatischer Prozess (DE-588)4799351-0 s DE-604 Fuß, Werner Sonstige oth Faraday discussions 127 (DE-604)BV009531045 127 HEBIS Datenaustausch Darmstadt application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=012868489&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Non-adiabatic effects in chemical dynamics University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004] Faraday discussions Nichtadiabatischer Prozess (DE-588)4799351-0 gnd Reaktionskinetik (DE-588)4048655-2 gnd |
| subject_GND | (DE-588)4799351-0 (DE-588)4048655-2 (DE-588)1071861417 |
| title | Non-adiabatic effects in chemical dynamics University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004] |
| title_auth | Non-adiabatic effects in chemical dynamics University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004] |
| title_exact_search | Non-adiabatic effects in chemical dynamics University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004] |
| title_full | Non-adiabatic effects in chemical dynamics University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004] [Werner Fuß ...] |
| title_fullStr | Non-adiabatic effects in chemical dynamics University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004] [Werner Fuß ...] |
| title_full_unstemmed | Non-adiabatic effects in chemical dynamics University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004] [Werner Fuß ...] |
| title_short | Non-adiabatic effects in chemical dynamics |
| title_sort | non adiabatic effects in chemical dynamics university of oxford april 5 7 2004 a general discussion held at the university of oxford uk on 5th 6th and 7th april 2004 |
| title_sub | University of Oxford, April 5 - 7, 2004 ; [a general discussion ... held at the University of Oxford, UK on 5th, 6th and 7th April 2004] |
| topic | Nichtadiabatischer Prozess (DE-588)4799351-0 gnd Reaktionskinetik (DE-588)4048655-2 gnd |
| topic_facet | Nichtadiabatischer Prozess Reaktionskinetik Konferenzschrift 2004 Oxford |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=012868489&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV009531045 |
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