A Systematic Appraisal of Density Functional Methodologies for Hydrogen Bonding in Binary Ionic Complexes-Reference-Cited by-同舟云学术

A Systematic Appraisal of Density Functional Methodologies for Hydrogen Bonding in Binary Ionic Complexes

Published:1996-01-01 Issue:12 Volume:100 Page:4781-4789
ISSN:0022-3654
Container-title:The Journal of Physical Chemistry
language:en
Short-container-title:J. Phys. Chem.

Author:

Pudzianowski Andrew T.¹

Affiliation:

1. Computer-Assisted Drug Design, Macromolecular Structure Division, Bristol-Myers Squibb Pharmaceutical Research Institute, Box 4000, Princeton, New Jersey 08543-4000

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,General Engineering

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9524688

Reference65 articles.

1. LCAO MO SCF [self-consistant field] study of "p.pi.-d.pi." bonding to phosphorus. The H3PO [phosphine oxide] molecule

2. Models for strong interactions in proteins and enzymes. 2. Interactions of ions with the peptide link and with imidazole

3. Time-resolved slow dissociation of benzonitrile ions by trapped-ion ion cyclotron resonance photodissociation

Cited by 88 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. Assessment of the performance of commonly used DFT functionals vs. MP2 in the study of IL-Water, IL-Ethanol and IL-(H2O)3 clusters;Journal of Molecular Liquids;2016-08

2. Anomalous behaviour of the bis(benzimidazolium)butane [2]pseudorotaxanes of dibenzo-24-crown-8: a comparative study of methane, ethane, propane and butane bis(benzimidazolium)alkane]dibenzo-24-crown-8 systems with variable spacers;Journal of Inclusion Phenomena and Macrocyclic Chemistry;2014-10-22

3. A 2,2′-bis(benzimidazolium)-dibenzo[24]crown[8] rigid pseudorotaxane system;Tetrahedron;2014-09

4. Study of structure and spectroscopy of water–hydroxide ion clusters: A combined simulated annealing and DFT-based approach;Journal of Chemical Sciences;2014-05

5. How universal are hydrogen bond correlations? A density functional study of intramolecular hydrogen bonding in low-energy conformers of α-amino acids;Molecular Physics;2013-10-31