Benchmark RI-MP2 database of nucleic acid base trimers: performance of different density functional models for prediction of structures and binding energies.
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Searching for DFT-based methods that include dispersion interactions to calculate the physisorption of H2 on benzene and graphene.Density functional theory studies of the extent of hole delocalization in one-electron oxidized adenine and guanine base stacks.Stability of the valence anion of cytosine is governed by nucleobases sequence in the double stranded DNA pi-stack: A computational study.Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines.Theoretical studies on densities, stability and detonation properties of 2D polymeric complexes Cu(DAT)₂Cl₂ and its new analogues Zn(DAT)₂Cl₂.The electronic structure of the four nucleotide bases in DNA, of their stacks, and of their homopolynucleotides in the absence and presence of water.Electronic structures of [n]-cyclacenes (n = 6–12) and short, hydrogen-capped, carbon nanotubes
P2860
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P2860
Benchmark RI-MP2 database of nucleic acid base trimers: performance of different density functional models for prediction of structures and binding energies.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Benchmark RI-MP2 database of n ...... ructures and binding energies.
@en
type
label
Benchmark RI-MP2 database of n ...... ructures and binding energies.
@en
prefLabel
Benchmark RI-MP2 database of n ...... ructures and binding energies.
@en
P2093
P356
P1476
Benchmark RI-MP2 database of n ...... ructures and binding energies.
@en
P2093
Edward C Sherer
Haydee Valdes
Martin Kabelác
P304
P356
10.1039/B707182E
P407
P577
2007-07-09T00:00:00Z