Search Result "complete active space selfconsistent field method"
Competition between Spin Excitation and Kondo Correlation in MagneticMolecular Junctions: Theoretical Insight from First-principles-based Simulations
Journal: Current Chinese Science
Volume: 2 Issue: 4 Year: 2022 Page: 310-324
Author(s):
A Review of Recent In Situ Deformation Studies Using Synchrotron X-Ray (Micro) Beams
Journal: Micro and Nanosystems
Volume: 4 Issue: 2 Year: 2012 Page: 97-105
Author(s): Alexander M. Korsunsky,Felix Hofmann,Xu Song,Brian Abbey,Nikolaos Baimpas
Iron-Sulfur Clusters in Proteins: Mutagenesis Studies and Theoretical Predictions of the Control of Redox Potential - A Review
Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 44-54
Author(s): Gerard M. Jensen
Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2626-2641
Author(s): Alex Dickson,Pratyush Tiwary,Harish Vashisth
QSAR and QM/MM Approaches Applied to Drug Metabolism Prediction
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 573-582
Author(s): R. C. Braga,C. H. Andrade
Review of Theoretical Studies for Prediction of Neurodegenerative Inhibitors
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 452-466
Author(s): F. Prado-Prado,I. Garcia
Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 324-343
Author(s): Chris A. Kieslich,Phanourios Tamamis,Ronald D. Gorham Jr.,Aliana Lopez de Victoria,Noriko U. Sausman,Georgios Archontis,Dimitrios Morikis
Permanent Dissipative Structures in Water: The Matrix of Life? Experimental Evidences and their Quantum Origin
Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 6 Year: 2015 Page: 559-571
Author(s): V. Elia,R. Germano,E. Napoli