期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 115, 期 41, 页码 11269-11276出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp2047954
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资金
- Air Force Office of Scientific Research
- NSF [CHE-0955419]
- ACS PRF [49271-DNI6]
- Purdue University
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0955419] Funding Source: National Science Foundation
Hydrogen-bonded and stacked structures of adenine-thytnine and guanine cytosine nucleotide base pairs, along with their methylated analogues, are examined with the ab inito based general effective fragment potential (EFP2) method. A comparison of coupled cluster with single, double, and perturbative triple (CCSD(T)) energies is presented, along with an EFP2 energy decomposition to illustrate the components of the interaction energy.
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