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Synonyme wurden verwendet für: Chemie
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Stability of dioctahedral 2:1 phyllosilicate edge structures based on pyrophyllite models
Online Contents | 2015|Schlagwörter: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry -
Can We Compare Attitude Scores among Diverse Populations? An Exploration of Measurement Invariance Testing to Support Valid Comparisons between Black Female Students and Their Peers in an Organic Chemistry Course
American Chemical Society | 2019|Schlagwörter: Minorities in Chemistry, Organic Chemistry, Women in Chemistry -
Modeling p-type charge transport in thienoacene analogs of pentacene
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Topical collection of papers collected on the occasion of the XLI congress of the theoretical chemists of Latin expression (CHITEL 2015 - Torino - Italy)
Online Contents | 2017|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
A force field for acetone: the transition from small clusters to liquid phase investigated by molecular dynamics simulations
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Paper to Plastics: An Interdisciplinary Summer Outreach Project in Sustainability
American Chemical Society | 2014|Schlagwörter: High School/Introductory Chemistry, Bioorganic Chemistry, Polymer Chemistry, Green Chemistry, Organic Chemistry -
On the equivalence of radial potential models for diatomic molecules
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Erratum to: Promoting Direct CO2 Conversion to DME over Zeolite-based Hybrid Catalysts
Springer Verlag | 2021|Schlagwörter: Chemistry, Industrial Chemistry/Chemical Engineering, Chemistry and Materials Science -
Gaussian-Type Orbitals versus Slater-Type Orbitals: A Comparison
American Chemical Society | 2014|Schlagwörter: Computational Chemistry, Physical Chemistry, Quantum Chemistry -
Chemistry of Cannabis: An Interdisciplinary Course
American Chemical Society | 2020|Schlagwörter: Analytical Chemistry, Medicinal Chemistry, Applications of Chemistry, Organic Chemistry -
The aromaticity and electronic properties of monosubstituted benzene, borazine and diazadiborine rings: an ab initio MP2 study
Online Contents | 2016|Schlagwörter: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry -
Relativistic and electron correlation effects on NMR J-coupling of Sn and Pb containing molecules
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
A research on excited-state intramolecular proton-transfer mechanism of a new chemosensor
Online Contents | 2016|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Why 1,2-quinone derivatives are more stable than their 2,3-analogues?
Online Contents | 2015|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Choosing an atomic basis set for TD-DFT, SOPPA, ADC(2), CIS(D), CC2 and EOM-CCSD calculations of low-lying excited states of organic dyes
Online Contents | 2015|Schlagwörter: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry -
The HSAB principle from a finite-temperature grand-canonical perspective
Online Contents | 2017|Schlagwörter: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Practical Training in Simple Hückel Theory: Matrix Diagonalization for Highly Symmetric Molecules and Visualization of Molecular Orbitals
American Chemical Society | 2018|Schlagwörter: Computational Chemistry, Physical Chemistry, Theoretical Chemistry, Quantum Chemistry -
Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds
Online Contents | 2017|Schlagwörter: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry -
Gadolinium-doped silicon clusters GdSin (n = 2–9) and their anions: structures, thermochemistry, electron affinities, and magnetic moments
Online Contents | 2016|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: Theoretische Chemie, Computational chemistry
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