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      Multiscale modeling of enzymes: QM-cluster, QM/MM, and QM/MM/MD: A tutorial review

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          A new mixing of Hartree–Fock and local density-functional theories

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            Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

            Vincenzo Barone, Maurizio Cossi (1998)
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              Energy-adjustedab initio pseudopotentials for the second and third row transition elements

              D. Andrae, U. H�u�ermann, M Dolg … (1990)
              Article 0 comments Cited 878 times – based on 0 reviews     Review now
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                Author and article information

                Journal
                Title: International Journal of Quantum Chemistry
                Abbreviated Title: Int J Quantum Chem
                Publisher: Wiley
                ISSN: 00207608
                Publication date Created: May 05 2018
                Publication date (Print): May 05 2018
                Publication date (Electronic): January 17 2018
                Volume: 118
                Issue: 9
                Page: e25558
                Affiliations
                [1 ]Department of Chemistry; CMS - Centre for Molecular Simulation, IQST- Institute for Quantum Science and Technology and Quantum Alberta, University of Calgary, 2500 University Drive N.W.; Calgary AB Canada T2N 1N4
                [2 ]Departamento de Física Aplicada; Centro de Investigación y de Estudios Avanzados, Unidad Mérida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex; 97310 Mérida Yuc. Mexico
                [3 ]College of Chemistry and Chemical Engineering; Henan University of Technology, No.100, Lian Hua Street, High-Tech Development Zone; Zhengzhou 450001 People's Republic of China
                Article
                DOI: 10.1002/qua.25558
                SO-VID: 2f5cf16f-213b-43dc-b726-a06a33f9c6fd
                Copyright © © 2018
                License:

                http://doi.wiley.com/10.1002/tdm_license_1.1

                http://onlinelibrary.wiley.com/termsAndConditions#vor

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