Close Relationships between NMR J-Coupling Alternation (JCA) and Molecular Properties of Carbon Chains-Reference-Cited by-同舟云学术

Close Relationships between NMR J-Coupling Alternation (JCA) and Molecular Properties of Carbon Chains

Published:2019-02-07 Issue:3 Volume:15 Page:1605-1615
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Oliveira João P. C.¹²,Rivelino Roberto¹^ORCID

Affiliation:

1. Instituto de Física, Universidade Federal da Bahia, 40210-340 Salvador, Bahia, Brazil

2. Centro de Ciência e Tecnologia em Energia e Sustentabilidade, Universidade Federal do Recôncavo da Bahia, 44085-132 Feira de Santana, Bahia, Brazil

Funder

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01141

Reference72 articles.

1. Natural J-Coupling Analysis: Interpretation of Scalar J-Couplings in Terms of Natural Bond Orbitals

2. Interpretation of Indirect Nuclear Spin−Spin Couplings in Isomers of Adenine: Novel Approach to Analyze Coupling Electron Deformation Density Using Localized Molecular Orbitals

3. Combined Utilization of 1H NMR, IR, and Theoretical Calculations To Elucidate the Conformational Preferences of Some l-Histidine Derivatives

4. Critical Analysis of Cluster Models and Exchange-Correlation Functionals for Calculating Magnetic Shielding in Molecular Solids

5. Improved Electrostatic Embedding for Fragment-Based Chemical Shift Calculations in Molecular Crystals

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A NMR hybrid J-coupling alternation (hJCA) parameter linearly correlated to properties of intermolecular H-bonded chains;Computational and Theoretical Chemistry;2022-11

2. Insightful characterization of sesamol-based polybenzoxazines: Effect of phenol and amine chain type on physical and nanomechanical properties;Polymer Testing;2022-06

3. Linear response of the indirect J ‐coupling alternation to the energy gap of increasing π‐conjugated oligomers;International Journal of Quantum Chemistry;2020-09-21