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TIB reading rooms collection
Synonyms were used for: Chemie
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Used synonyms:
- allgemeine chemie
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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|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Gaussian-Type Orbitals versus Slater-Type Orbitals: A Comparison
American Chemical Society | 2014|Keywords: Computational Chemistry, Physical Chemistry, Quantum Chemistry -
Chemistry of Cannabis: An Interdisciplinary Course
American Chemical Society | 2020|Keywords: Analytical Chemistry, Medicinal Chemistry, Applications of Chemistry, Organic Chemistry -
Structural characteristics and photoinduced carrier behaviors of the mixed-phase BiVO4: a first-principles theoretical study
Online Contents | 2016|Keywords: 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|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Electron Correlation in the Singlet and Triplet States of the Atomic 2p x 12p y 1 Configuration
American Chemical Society | 2019|Keywords: Physical Chemistry, Quantum Chemistry, Theoretical Chemistry, Inorganic Chemistry -
Studying lowest energy structures of carbon clusters by bond-order empirical potentials
Online Contents | 2017|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra
Online Contents | 2016|Keywords: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry, Quantum chemistry -
The contact of graphene with Ni(111) surface: description by modern dispersive forces approaches
Online Contents | 2016|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Direct methods for non-adiabatic dynamics: connecting the single-set variational multi-configuration Gaussian (vMCG) and Ehrenfest perspectives
Online Contents | 2016|Keywords: 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|Keywords: Computational Chemistry, Physical Chemistry, Theoretical Chemistry, Quantum Chemistry -
Optimal-continuum and multicentered Gaussian basis sets for high-harmonic generation spectroscopy
Online Contents | 2016|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Tautomerization mechanism and spectral properties of porphyrin–glucose complexes as models of antibacterial material
Online Contents | 2016|Keywords: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry -
22π-Electrons [1.1.1.1.1] pentaphyrin as a new photosensitizing agent for water disinfection: experimental and theoretical characterization
Online Contents | 2016|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Part and whole in wavefunction/DFT embedding
Online Contents | 2015|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Thermal properties of the orthorhombic CaSnO3 perovskite under pressure from ab initio quasi-harmonic calculations
Online Contents | 2016|Keywords: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry -
About Lewis’s heritage: chemical interpretations and quantum chemistry
Online Contents | 2017|Keywords: Computational chemistry, Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Organic Chemistry, Quantum chemistry -
Theoretical spectroscopy of BASHY dyes
Online Contents | 2016|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry -
Food Chemistry: A Model for Upper Level Chemistry Electives
American Chemical Society | 2018|Keywords: Applications of Chemistry, Consumer Chemistry, Plant Chemistry, Organic Chemistry, Agricultural Chemistry -
Hirshfeld-I charges in linear combination of atomic orbitals periodic calculations
Online Contents | 2016|Keywords: Theoretical and Computational Chemistry, Physical Chemistry, Theoretische Chemie, Inorganic Chemistry, Chemistry, Computational chemistry, Organic Chemistry
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