Search Result "zero-order regular approximation (ZORA)"
Optimizing the Structure of Tetracyanoplatinate (II): A Comparison of Relativistic Density Functional Theory Methods
Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 213-219
Author(s): Asmus O. Dohn,Klaus B. Moller,Stephan P. A. Sauer
Role of Terminal Positions of Aryl Ring Towards Second-Order Nonlinearity in Arylimido-Substituted Molybdates: An Interesting Quantum Study of Organic-Inorganic Hybrid Composites
Journal: Current Physical Chemistry
Volume: 1 Issue: 2 Year: 2011 Page: 99-105
Author(s): Muhammad Ramzan Saeed Ashraf Janjua, Wei Guan, Likai Yan, Zhong-Min Su
Quantum Chemistry in Drug Design: Density Function Theory (DFT) and Other Quantum Mechanics (QM)-related Approaches
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010010
Applications of Density Functional Theory (DFT) to Investigate the Structural, Spectroscopic and Magnetic Properties of Lanthanide(III) Complexes
Journal: Current Inorganic Chemistry
Volume: 1 Issue: 1 Year: 2011 Page: 91-116
Author(s): Carlos Platas-Iglesias, Adrian Roca-Sabio, Martin Regueiro-Figueroa, David Esteban-Gomez, Andres de Blas, Teresa Rodriguez-Blas