Does an ethene/benzenium ion complex exist? A discrepancy between B3LYP and MP2 predictions.
about
A new theoretical analysis of the cooperative effect in T-shaped hydrogen complexes of CnHm∙∙∙HCN∙∙∙HW with n = 2, m = 2 or 4, and W = F or CN.Superhalogen properties of CuF(n) clusters.Energetics and reaction mechanisms for the competitive losses of H2, CH4 and C2H4 from protonated methylbenzenes--implications to the methanol- to-hydrocarbons (MTH) process.Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds.Theoretical aspects of binary and ternary complexes of aziridine···ammonia ruled by hydrogen bond strength.
P2860
Does an ethene/benzenium ion complex exist? A discrepancy between B3LYP and MP2 predictions.
description
2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
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2008年学术文章
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name
Does an ethene/benzenium ion c ...... een B3LYP and MP2 predictions.
@en
Does an ethene/benzenium ion c ...... een B3LYP and MP2 predictions.
@nl
type
label
Does an ethene/benzenium ion c ...... een B3LYP and MP2 predictions.
@en
Does an ethene/benzenium ion c ...... een B3LYP and MP2 predictions.
@nl
prefLabel
Does an ethene/benzenium ion c ...... een B3LYP and MP2 predictions.
@en
Does an ethene/benzenium ion c ...... een B3LYP and MP2 predictions.
@nl
P356
P1476
Does an ethene/benzenium ion c ...... een B3LYP and MP2 predictions.
@en
P2093
Stein Kolboe
P304
P356
10.1021/JP8027879
P407
P50
P577
2008-07-01T00:00:00Z