First principles implementation of solvent effects without outlying charge error
Article Properties
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LanguageEnglish
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DOI (url)
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Publication Date1997/04/22
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Journal
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Indian UGC (journal)
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Refrences91
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Citations189
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Kim Baldridge San Diego Supercomputer Center, P.O. Box 85608, San Diego, California 92186-9784
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Andreas Klamt Bayer AG, Q18, D-51368 Leverkusen-Bayerwerk, Germany
Abstract
Journal Categories
Science
Chemistry
Science
Chemistry
Physical and theoretical chemistry
Science
Physics
Atomic physics
Constitution and properties of matter
Refrences
| Title | Journal | Journal Categories | Citations | Publication Date |
|---|---|---|---|---|
An effective fragment method for modeling solvent effects in quantum mechanical calculations | The Journal of Chemical Physics |
| 498 | 1996 |
The solvation reaction field for a hydrogen atom in a dielectric continuum | The Journal of Chemical Physics |
| 38 | 1996 |
| 10.1016/0009-2614(95)00898-E | Chemical Physics Letters |
| 1995 | |
| On the Number of Water Molecules Necessary To Stabilize the Glycine Zwitterion | Journal of the American Chemical Society |
| 385 | 1995 |
Incorporation of solvent effects into density functional calculations of molecular energies and geometries | The Journal of Chemical Physics |
| 717 | 1995 |
Refrences Analysis
The category
Science: Chemistry: Physical and theoretical chemistry 66
is the most frequently represented among the references in this article. It primarily includes studies from The Journal of Chemical Physics and Journal of the American Chemical Society. The chart below illustrates the number of referenced publications per year.
Refrences used by this article by year
Citations
| Title | Journal | Journal Categories | Citations | Publication Date |
|---|---|---|---|---|
| Mango extract behavior as a potent corrosion inhibitor against simulated chloride-contaminated concrete pore solution; coupled experimental and computer modeling studies | Journal of Industrial and Engineering Chemistry |
| 2 | 2024 |
| DFT-details & atomic-scale MC/MD simulations and experimental exploration of the Silybum extract bio-molecules effectiveness in mitigating aggressive effects of simulated corrosive concrete pore solutions | Journal of Molecular Liquids |
| 2024 | |
| Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State | The Journal of Physical Chemistry B |
| 2024 | |
| σ3/σ5-P Tautomerism and Coordination Behavior of α,α-Dialkyl-2-(diphenylphosphino)benzenemethanols | Organometallics |
| 2024 | |
Interactions of Acetylene-Derived Thioester Collectors with Gold Surfaces: A First-Principles Study | Minerals |
| 2024 |
Citations Analysis
The category
Science: Chemistry 161
is the most commonly referenced area in studies that cite this article. The first research to cite this article was titled Catalytic and bulk solvent effects on proton transfer: Formamide as a case study and was published in 1997. The most recent citation comes from a 2024 study titled Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State. This article reached its peak citation in 2021, with 18 citations. It has been cited in 83 different journals, 3% of which are open access. Among related journals, the The Journal of Chemical Physics cited this research the most, with 20 citations. The chart below illustrates the annual citation trends for this article.