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Computational Chemistry: Reviews of Current Trends
Abstract
One-Electron Equations for Embedded Electron Density: Challenge for Theory and Practical Payoffs in Multi-Level Modeling of Complex Polyatomic Systems (T A Wesolowski) Density-Functional Based Investigation of Molecular Magnets (M R Pederson et al.) Vibrational Spectra by Electron Impact: Theoretical Models for Intensities (P arsky & R urik) Theoretical Description of the Kinetics of Gas-Phase Reactions Important in Atmospheric Chemistry (J T Jodkowski) Predicting and Understanding the Signs of One- and Two-Bond Spin-Spin Coupling Constants across X-H-Y Hydrogen Bonds (J E Del Bene & J Elguero) Towards the Elucidation of the Activation of Cisplatin in Anticancer Treatment (J V Burda et al.).
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Cited by
Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
Cossi, M., Barone, V., Cammi, R., & Tomasi, J. (1996) · Chemical Physics Letters · doi:10.1016/0009-2614(96)00349-1 · Cited by 3,440
Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems
Young, D. C. (2001) · doi:10.1002/0471220655 · Cited by 964
octopus:a tool for the application of time‐dependent density functional theory
Castro, A., Appel, H., Oliveira, M., Rozzi, C. A., Andrade, X., Lorenzen, F., Marques, M. A. L., Gross, E. K. U., & Rubio, A. (2006) · physica status solidi (b) · doi:10.1002/pssb.200642067 · Cited by 894
Kowalski, K., & Piecuch, P. (2000) · The Journal of Chemical Physics · doi:10.1063/1.481769 · Cited by 440
First experimental photoelectron spectra of superhalogens and their theoretical interpretations
Wang, X.-B., Ding, C.-F., Wang, L.-S., Boldyrev, A. I., & Simons, J. (1999) · The Journal of Chemical Physics · doi:10.1063/1.478386 · Cited by 299
Metadata
- Authors
- Leszczynski, J.
- Venue
- Computational Chemistry: Reviews of Current Trends
- Publisher
- WORLD SCIENTIFIC
- Published
- 2003-12
- ISSN
- 1793-0979 (ISSN-L)
- DOI
- 10.1142/5429
- OpenAlex
- W597881981
- Cited by
- 758
- References
- 0
- FWCI
- 22.08
- Type
- book
- Language
- en
- Open access
- closed
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