On-the-fly ab initio trajectory calculations of the dynamics of Cl atom reactions with methane, ethane and methanol

S Rudić, C Murray, JN Harvey, AJ Orr-Ewing

Research output: Contribution to journal › Article (Academic Journal) › peer-review

65 Citations (Scopus)

Translated title of the contribution	On-the-fly ab initio trajectory calculations of the dynamics of Cl atom reactions with methane, ethane and methanol
Original language	English
Pages (from-to)	186 - 198
Number of pages	13
Journal	Journal of Chemical Physics
Volume	120 (1)
DOIs	https://doi.org/10.1063/1.1629670
Publication status	Published - Jan 2004

Publisher: American Institute of Physics

Access to Document

@article{315a8185fcc04dc2be871ecc6fbae1c2,

title = "On-the-fly ab initio trajectory calculations of the dynamics of Cl atom reactions with methane, ethane and methanol",

author = "S Rudi{\'c} and C Murray and JN Harvey and AJ Orr-Ewing",

note = "Publisher: American Institute of Physics",

year = "2004",

month = jan,

doi = "10.1063/1.1629670",

language = "English",

volume = "120 (1)",

pages = "186 -- 198",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics (AIP)",

}

TY - JOUR

T1 - On-the-fly ab initio trajectory calculations of the dynamics of Cl atom reactions with methane, ethane and methanol

AU - Rudić, S

AU - Murray, C

AU - Harvey, JN

AU - Orr-Ewing, AJ

N1 - Publisher: American Institute of Physics

PY - 2004/1

Y1 - 2004/1

U2 - 10.1063/1.1629670

DO - 10.1063/1.1629670

M3 - Article (Academic Journal)

VL - 120 (1)

SP - 186

EP - 198

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

ER -