CCSD(T) level interaction energy for halogen bond between pyridine and substituted iodobenzenes: origin and additivity of substituent effects.
about
Benchmarking DFT methods with small basis sets for the calculation of halogen-bond strengths.Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution.Modeling cooperative effects in halogen-bonded infinite linear chains.Roles of the scalar and vector components of the solvation effects on the vibrational properties of hydrogen- or halogen-bond accepting stretching modes.
P2860
CCSD(T) level interaction energy for halogen bond between pyridine and substituted iodobenzenes: origin and additivity of substituent effects.
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
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2013年学术文章
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name
CCSD(T) level interaction ener ...... tivity of substituent effects.
@en
type
label
CCSD(T) level interaction ener ...... tivity of substituent effects.
@en
prefLabel
CCSD(T) level interaction ener ...... tivity of substituent effects.
@en
P2093
P2860
P356
P1476
CCSD(T) level interaction ener ...... tivity of substituent effects.
@en
P2093
Akihiro Wakisaka
Seiji Tsuzuki
Tadafumi Uchimaru
Takaaki Sonoda
P2860
P304
P356
10.1039/C3CP43693D
P407
P577
2013-03-15T00:00:00Z