(Q36861705)

16 August 2017

Theoretical studies on bimolecular reaction dynamics (English)

1 reference

16 August 2017

David C Clary

1

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language of work or name

English

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publication date

14 July 2008

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Proceedings of the National Academy of Sciences of the United States of America

16 August 2017

1 reference

16 August 2017

105

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16 August 2017

35

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16 August 2017

12649-12653

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Coupling of hydrogenic tunneling to active-site motion in the hydrogen radical transfer catalyzed by a coenzyme B12-dependent mutase

16 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

State-to-state dynamics of elementary bimolecular reactions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Theories of reactive scattering

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Reactions at very low temperatures: gas kinetics at a new frontier

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Ab initio quantum chemistry: methodology and applications

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Quantum scattering calculations on chemical reactions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Unified Approach for Molecular Dynamics and Density-Functional Theory

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Nonadiabatic interactions in the Cl + H2 reaction probed by ClH2- and ClD2- photoelectron imaging

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Quasiclassical trajectory study of the reaction H+CH4(nu3 = 0,1)-->CH3+H2 using a new ab initio potential energy surface.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Including quantum effects in the dynamics of complex (i.e., large) molecular systems

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Theoretical study of geometric phase effects in the hydrogen-exchange reaction.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

The Liversidge Lecture 2001-02. Chemistry amongst the stars: reaction kinetics at a new frontier

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2529072

Breakdown of the Born-Oppenheimer Approximation in the F+ o-D2 -> DF + D Reaction

4 September 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.0800088105

Variational Transition State Theory

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.0800088105

Quantum study on the branching ratio of the reaction NO2+OH

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.0800088105

First-Principles Theory for the H + CH4 -> H2 + CH3 Reaction

21 January 2018

1 reference

12 December 2020

Interference of quantized transition-state pathways in the H + D2 -> D + HD chemical reaction

1 reference

12 December 2020

Observation of Feshbach resonances in the F + H2 --> HF + H reaction

1 reference

12 December 2020

Understanding reactivity at very low temperatures: the reactions of oxygen atoms with alkenes

1 reference

12 December 2020

Effect of a single quantum rotational excitation on state-to-state dynamics of the O(1D)+H2-->OH+H reaction

1 reference

12 December 2020

A direct dynamics trajectory study of F- + CH(3)OOH reactive collisions reveals a major non-IRC reaction path

1 reference

12 December 2020

Mode-specific energy disposal in the four-atom reaction OH + D2 --> HOD + D

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.0800088105

1 reference

16 August 2017

0 references

1 reference

PMC publication ID

2529072

16 August 2017

PubMed publication ID

18626015

1 reference

PMC publication ID

2529072