Information theory and basis set quality. Automatic classification and systematic improvement of approximate wavefunctions IV. A study on BH(X1Σ+), CH(X2Πr) and NH(X3Σ−)-Reference-Cited by-同舟云学术

Information theory and basis set quality. Automatic classification and systematic improvement of approximate wavefunctions IV. A study on BH(X1Σ+), CH(X2Πr) and NH(X3Σ−)

Published:1985-05 Issue:3-4 Volume:122 Page:269-280
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Maroulis G.,Sana M.,Leroy G.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference35 articles.

1. On the theoretical determination of molecular first hyperpolarizability

2. Disproof of extreme enhancement of electronic third order hyperpolarizability in TCNQ

3. Calculation of nonlinear susceptibilities of nitrogen‐containing heterocycles and of nitriles

4. Uniform quality gaussian basis sets for molecular calculations. V. Property optimization: A study on H2O

5. Standard deviation in reduced errors (SDRE): A criterion to assess the relative overall quality of approximate wavefunctions

Cited by 7 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. Reduction of Dimensionality, Order, and Classification in Spaces of Theoretical Descriptions of Molecules: An Approach Based on Metrics, Pattern Recognition Techniques, and Graph Theoretic Considerations;Statistical Modelling of Molecular Descriptors in QSAR/QSPR;2012-03-09

2. QUALITY: A program to assess basis set quality;Computer Physics Communications;1998-09

3. The System Boron-Hydrogen;B Boron Compounds;1994

4. Compounds of Nitrogen with Hydrogen;N Nitrogen;1993

5. Interconnections between Electron Densities in Position and Momentum Spaces;Lecture Notes in Chemistry;1989