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Synonyme wurden verwendet für: Chemie
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Role of water in intramolecular proton transfer reactions of formamide and thioformamide
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Engaging Students with the Real World in a Green Organic Chemistry Laboratory Group Project: A Presentation and Writing Assignment in a Laboratory Class
American Chemical Society | 2018|Schlagwörter: Applications of Chemistry, Industrial Chemistry, Green Chemistry, Organic Chemistry -
Thom H. Dunning, Jr.: Contributions to chemical theory and computing
Online Contents | 2015|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Optimal wavelet signal compression as an efficient alternative to investigate molecular dynamics simulations: application to thermal and solvent effects of MRI probes
Online Contents | 2017|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry?
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Fluorene-imidazole dyes excited states from first-principles calculations—Topological insights
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Exploring the limits of recent exchange–correlation functionals in modeling lithium/benzene interaction
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the light elements H–Ar
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Structure–Property Relationships of Small Organic Molecules as a Prelude to the Teaching of Polymer Science
American Chemical Society | 2017|Schlagwörter: Physical Chemistry, Polymer Chemistry, Organic Chemistry -
The complete basis set Full-CI roto-vibrational spectroscopic constants of AlH, $$\hbox {AlH}^{+}$$ AlH + and $$\hbox {AlH}^{-}$$ AlH
Online Contents | 2017|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Developing the Chemist’s Inner Coder: A MATLAB Tutorial on the Stochastic Simulation of a Pseudo-First-Order Reaction
American Chemical Society | 2020|Schlagwörter: Computational Chemistry, Physical Chemistry -
Benchmarking DFT-GGA calculations for the structure optimisation of neutral-framework zeotypes
Online Contents | 2016|Schlagwörter: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Solid state chemistry, Chemistry, Organic Chemistry -
Facilitating Laboratory Research Experience Using Reticular Chemistry
American Chemical Society | 2018|Schlagwörter: Analytical Chemistry, Physical Chemistry, Computational Chemistry, Inorganic Chemistry, Organic Chemistry -
Data scarcity limits understanding of hydroclimatic drivers of food and urban security
Springer Verlag | 2023|Schlagwörter: Chemistry, Physical Chemistry, Chemistry and Materials Science -
Chemie-Umwelt-Technik
TIBKAT | 1988/89(1988); 1990 - 1999Schlagwörter: Technische Chemie, Ökologische Chemie -
Is NICS a reliable aromaticity index for transition metal clusters?
Online Contents | 2015|Schlagwörter: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry -
Metallacarboranes Etc.
Springer Verlag | 2023|Schlagwörter: Chemistry, Inorganic Chemistry, Organometallic Chemistry, Organic Chemistry, Chemistry and Materials Science -
Water-driven stabilization of diphenylalanine nanotube structures
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Postdoctoral Research with George Hammond at Iowa State
Springer Verlag | 2023|Schlagwörter: Chemistry, Inorganic Chemistry, Organometallic Chemistry, Organic Chemistry, Chemistry and Materials Science
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