Ab initio studies of structural features not easily amenable to experiment
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference32 articles.
1. The crystal structure of acetylcholine iodide
2. A reinvestigation of the crystal structure of acetylcholine bromide
3. Crystal structure of acetylcholine perchlorate
4. Acetylcholine, gauche or trans? Standard ab initio self-consistent field investigation
5. Anab initio SCF molecular orbital study of acetylcholine
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1. A DFT study of determination of the reactive sites of the acetylcholine and its agonists: In the gas phase and dielectric medium;International Journal of Quantum Chemistry;2011-04-21
2. Theoretical Investigations of Acetylcholine (ACh) and Acetylthiocholine (ATCh) Using ab Initio and Effective Fragment Potential Methods;The Journal of Physical Chemistry A;2004-11-26
3. Density Functional Theory as a Tool for the Prediction of the Properties in Molecules with Biological and Pharmacological Significance;Theoretical and Computational Chemistry;1996
4. Ab initio-gradient optimized molecular geometry and conformational analysis of 2-methoxyethanol at the 4-21G level;Journal of Molecular Structure: THEOCHEM;1989-06
5. Molecular modelling in design of crop protection chemicals;Journal of Computer-Aided Molecular Design;1988-10
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