Benchmark calculations of the shielding constants in the water dimer-Reference-Cited by-同舟云学术

Benchmark calculations of the shielding constants in the water dimer

Published:2001-01 Issue:1-2 Volume:333 Page:139-145
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Pecul Magdalena,Lewandowski Józef,Sadlej Joanna

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference35 articles.

1. Solid-state NMR investigations on the nature of hydrogen bonds

2. A Low-Barrier Hydrogen Bond in the Catalytic Triad of Serine Proteases

3. Nitrogen-15-labeled oligodeoxynucleotides. 5. Use of 15N NMR to probe H-bonding in an O6MeG.cntdot.T base pair

4. J.F. Hinton, K. Wolinski, in: D. Hadzi (Ed.), Theoretical Treatments of Hydrogen Bonding, Wiley, New York, 1997 (Chapter Ab initio GIAO Magnetic Shielding Tensor for Hydrogen Bonded Systems)

Cited by 23 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. New pecS-n (n = 1, 2) basis sets for quantum chemical calculations of the NMR chemical shifts of H, C, N, and O nuclei;The Journal of Chemical Physics;2022-06-28

2. Nanocrystalline Spinel Manganese Ferrite MnFe2O4: Synthesis, Electronic Structure, and Evaluation of Their Magnetic Hyperthermia Applications;Functional Properties of Advanced Engineering Materials and Biomolecules;2021

3. Exploring EPR Parameters of 99Tc Complexes for Designing New MRI Probes: Coordination Environment, Solvent, and Thermal Effects on the Spectroscopic Properties;Journal of Chemistry;2017

4. On novel magnetic probe for fullerene characterization: Theoretical studies on NMR parameters of free and confined in fullerenes HD and H 2 molecules;Journal of Molecular Graphics and Modelling;2015-11

5. Probing thermal and solvent effects on hyperfine interactions and spin relaxation rate of δ-FeOOH(100) and [MnH3buea(OH)]2−: Toward new MRI probes;Computational and Theoretical Chemistry;2015-10