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Molecular Dynamics Inc quantum chemistry package gaussian 09
Quantum Chemistry Package Gaussian 09, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/quantum+chemistry+package+gaussian+09/quantum+chemistry+package+gaussian+09/pm37209129-58-19-20
Average 90 stars, based on 1 article reviews
quantum chemistry package gaussian 09 - by Bioz Stars, 2026-10
90/100 stars

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Article Title: Mechanistic Insight and Intersystem Crossing Dynamics of the C( 3 P) + H 2 CO/D 2 CO Reaction.
Article Snippet: The reaction of atomic carbon, C(3P), with H2CO has been investigated using the direct dynamics trajectory surface hopping (DDTSH) method with Tully’s fewest switches algorithm.. The lowest lying ground triplet and single states are considered for the dynamics study at a reagent collision energy of 8.0 kcal/mol.. From the trajectory calculations, we observed that CH2 + CO and H + HCCO are the two major product channels for the title reaction.



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