RAHB concept and σ-skeleton in some oximes of 3-hydroxy fulvene; DFT, AIM, ELF and NBO studies
出版年份 2015 全文链接
标题
RAHB concept and σ-skeleton in some oximes of 3-hydroxy fulvene; DFT, AIM, ELF and NBO studies
作者
关键词
Intramolecular hydrogen bond, 3-Hydroxyfulvene-2-aldoxime, Aromaticity, Electron delocalization, Hydrogen bond strength
出版物
STRUCTURAL CHEMISTRY
Volume 26, Issue 4, Pages 1039-1048
出版商
Springer Nature
发表日期
2015-01-30
DOI
10.1007/s11224-015-0562-3
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Detection of a transient intramolecular hydrogen bond using 1JNH scalar couplings
- (2014) ShengQi Xiang et al. JOURNAL OF MAGNETIC RESONANCE
- Hydrogen–Hydrogen Bonds in Highly Branched Alkanes and in Alkane Complexes: A DFT, ab initio, QTAIM, and ELF Study
- (2014) Norberto K. V. Monteiro et al. JOURNAL OF PHYSICAL CHEMISTRY A
- An intramolecular hydrogen bond study in some Schiff bases of fulvene: a challenge between the RAHB concept and the σ-skeleton influence
- (2014) A-Reza Nekoei et al. NEW JOURNAL OF CHEMISTRY
- A quantum chemical computational insight into the intramolecular hydrogen bond interaction in an antibacterial drug molecule-2-acetylindan-1,3-dione
- (2013) Bijan Kumar Paul et al. Computational and Theoretical Chemistry
- Molecular structure, spectral studies, intra and intermolecular interactions analyses in a novel ethyl 4-[3-(2-chloro-phenyl)-acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer: A combined DFT and AIM approach
- (2012) R.N. Singh et al. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
- Effect of aromatization of the ring on intramolecular H-bond in 3-hydroxy-4-formylo derivatives of fulvene
- (2011) Wojciech P. Oziminski et al. CHEMICAL PHYSICS LETTERS
- Multiwfn: A multifunctional wavefunction analyzer
- (2011) Tian Lu et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Intramolecular Hydrogen Bonds: the QTAIM and ELF Characteristics
- (2011) Franck Fuster et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme†
- (2010) Rafał Kurczab et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Estimating the Hydrogen Bond Energy
- (2010) Katharina Wendler et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Theoretical study on effects of hydrogen bonding on the ring stretching modes of pyridine
- (2009) An Yong Li et al. JOURNAL OF CHEMICAL PHYSICS
- Homonuclear versus Heteronuclear Resonance-Assisted Hydrogen Bonds: Tautomerism, Aromaticity, and Intramolecular Hydrogen Bonding in Heterocyclic Systems with Different Exocyclic Proton Donor/Acceptor
- (2009) Roman I. Zubatyuk et al. JOURNAL OF PHYSICAL CHEMISTRY A
- QTAIM Study of an α-Helix Hydrogen Bond Network
- (2009) Shenna M. LaPointe et al. JOURNAL OF PHYSICAL CHEMISTRY B
- σ- andπ-electron contributions to the substituent effect: natural population analysis
- (2009) Wojciech P. Ozimiński et al. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
- Resonance-assisted hydrogen bonding in terms of substituent effect
- (2009) Tadeusz M. Krygowski et al. TETRAHEDRON
- Bonding in Tropolone, 2-Aminotropone, and Aminotroponimine: No Evidence of Resonance-Assisted Hydrogen-Bond Effects
- (2008) Pablo Sanz et al. CHEMISTRY-A EUROPEAN JOURNAL
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