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Theoretical Studies on the Hydrogen Bonding Interaction of Complexes of Formic Acid with Water

✍ Scribed by Zhou, Zhengyu; Shi, Yun; Zhou, Xinming

Book ID
124164404
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
106 KB
Volume
108
Category
Article
ISSN
1089-5639

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## Abstract We report a theoretical study on seven radical hydrogen bond complexes between syn‐HCOOH and OH and eight radical hydrogen bond complexes between anti‐HCOOH and OH, that have been carried out by using the B3 LYP, MP2, QCISD, and CCSD(T) theoretical approaches with the 6‐311+G(2df,2p) ba