NMR chemical shielding and spin-spin coupling constants of liquid N[H.sub.3]: a systematic investigation using the sequential QM/MM method

Subjects

Subjects :

Ammonia -- Chemical properties
Ammonia -- Electric properties
Ammonia -- Optical properties
Density functionals -- Usage
Hydrogen bonding -- Analysis
Monte Carlo method -- Usage
Nuclear magnetic resonance spectroscopy -- Usage
Quantum theory -- Usage
Spin coupling -- Analysis
Chemicals, plastics and rubber industries

Details

Language :

English

ISSN :

10895639

Volume :

113

Issue :

52

Database :

Gale General OneFile

Journal :

Journal of Physical Chemistry A

Publication Type :

Academic Journal

Accession number :

edsgcl.219798217