Literature DB >> 18753626

Chemical reaction dynamics.

F Fleming Crim1.   

Abstract

Understanding the motions of the constituent atoms in reacting molecules lies at the heart of chemistry and is the central focus of chemical reaction dynamics. The most detailed questions one can ask are about the evolution of molecules prepared in a single quantum state to products in individual states, and both calculations and experiments are providing such detailed understanding of increasingly complex systems. A central goal of these studies is uncovering the essential details of chemical change by removing the averaging over the initial conditions that occurs in many cases. Such information provides an exquisite test of theory and helps paint pictures of complicated chemical transformations. The goal of this Special Feature is to provide a snapshot of a portion of the field of chemical reaction dynamics. Much of the work presented here emphasizes a close interplay of experiment and theory in ways that sharpen the conclusions of both and animate future studies. The articles do not completely cover the rich field of chemical reaction dynamics but rather provide a glimpse of some of the emerging insights.

Year:  2008        PMID: 18753626      PMCID: PMC2529098          DOI: 10.1073/pnas.0805363105

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  13 in total

1.  Tracking the energy flow along the reaction path.

Authors:  Shannon Yan; Yen-Tien Wu; Kopin Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2008-07-29       Impact factor: 11.205

2.  Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy.

Authors:  Zefeng Ren; Li Che; Minghui Qiu; Xingan Wang; Wenrui Dong; Dongxu Dai; Xiuyan Wang; Xueming Yang; Zhigang Sun; Bina Fu; Soo-Y Lee; Xin Xu; Dong H Zhang
Journal:  Proc Natl Acad Sci U S A       Date:  2008-08-07       Impact factor: 11.205

3.  Chemical dynamics of vibrationally excited molecules: Controlling reactions in gases and on surfaces.

Authors:  F Fleming Crim
Journal:  Proc Natl Acad Sci U S A       Date:  2008-09-02       Impact factor: 11.205

4.  Exploring nuclear motion through conical intersections in the UV photodissociation of phenols and thiophenol.

Authors:  Michael N R Ashfold; Adam L Devine; Richard N Dixon; Graeme A King; Michael G D Nix; Thomas A A Oliver
Journal:  Proc Natl Acad Sci U S A       Date:  2008-07-28       Impact factor: 11.205

5.  Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex.

Authors:  Zhenggang Lan; Luis Manuel Frutos; Andrzej L Sobolewski; Wolfgang Domcke
Journal:  Proc Natl Acad Sci U S A       Date:  2008-07-28       Impact factor: 11.205

6.  Spectroscopic identification and stability of the intermediate in the OH + HONO2 reaction.

Authors:  Bridget A O'Donnell; Eunice X J Li; Marsha I Lester; Joseph S Francisco
Journal:  Proc Natl Acad Sci U S A       Date:  2008-08-04       Impact factor: 11.205

7.  Stereodynamics in state-resolved scattering at the gas-liquid interface.

Authors:  Bradford G Perkins; David J Nesbitt
Journal:  Proc Natl Acad Sci U S A       Date:  2008-08-04       Impact factor: 11.205

8.  Conformational isomerization kinetics of pent-1-en-4-yne with 3,330 cm-1 of internal energy measured by dynamic rotational spectroscopy.

Authors:  Brian C Dian; Gordon G Brown; Kevin O Douglass; Frances S Rees; James E Johns; Pradeep Nair; Richard D Suenram; Brooks H Pate
Journal:  Proc Natl Acad Sci U S A       Date:  2008-08-04       Impact factor: 11.205

9.  H elimination and metastable lifetimes in the UV photoexcitation of diacetylene.

Authors:  R Silva; W K Gichuhi; C Huang; M B Doyle; V V Kislov; A M Mebel; A G Suits
Journal:  Proc Natl Acad Sci U S A       Date:  2008-08-12       Impact factor: 11.205

10.  Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation.

Authors:  Brianna R Heazlewood; Meredith J T Jordan; Scott H Kable; Talitha M Selby; David L Osborn; Benjamin C Shepler; Bastiaan J Braams; Joel M Bowman
Journal:  Proc Natl Acad Sci U S A       Date:  2008-08-07       Impact factor: 11.205

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  1 in total

1.  Interplay of vibrational wavepackets during an ultrafast electron transfer reaction.

Authors:  Shahnawaz Rafiq; Bo Fu; Bryan Kudisch; Gregory D Scholes
Journal:  Nat Chem       Date:  2020-12-07       Impact factor: 24.427

  1 in total

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