Concepts and Methods in Modern Theoretical Chemistry
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Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Intermolecular Interactions through Energy Decomposition: A Chemist’s Perspective

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-23 ◽

2016 ◽

pp. 350-381

Keyword(s):

Intermolecular Interactions ◽

Energy Decomposition

- Single Determinantal Approximations: Hartree–Fock, Optimized Effective Potential Theory, Density Functional Theory

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-21 ◽

2016 ◽

pp. 290-331

Keyword(s):

Density Functional Theory ◽

Potential Theory ◽

Effective Potential ◽

Density Functional ◽

Functional Theory ◽

Hartree Fock ◽

Optimized Effective Potential

Benchmark Studies of Spectroscopic Parameters for Hydrogen Halide Series via Scalar Relativistic State-Specic Multireference Perturbation Theory

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-14 ◽

2016 ◽

pp. 156-171

Keyword(s):

Perturbation Theory ◽

Hydrogen Halide ◽

Multireference Perturbation Theory ◽

Spectroscopic Parameters

- Energy Functionals for Excited States

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-13 ◽

2016 ◽

pp. 136-155

Keyword(s):

Excited States ◽

Energy Functionals

- Electronic Excitation Energies of Molecular Systems from the Bethe–Salpeter Equation: Example of the H2 Molecule

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-26 ◽

2016 ◽

pp. 404-427

Keyword(s):

Electronic Excitation ◽

Excitation Energies ◽

Molecular Systems ◽

H2 Molecule

- Uncertainty and Entropy Properties for Coulomb and Simple Harmonic Potentials Modified by

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-30 ◽

2016 ◽

pp. 478-487

- Perfectly Periodic Table of Elements in Nonrelativistic Limit of Large Atomic Number

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-24 ◽

2016 ◽

pp. 382-385

Keyword(s):

Atomic Number ◽

Periodic Table ◽

Nonrelativistic Limit ◽

Large Atomic Number

- Analysis of Generalized Gradient Approximation for Exchange Energy

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-22 ◽

2016 ◽

pp. 332-349

Keyword(s):

Exchange Energy ◽

Generalized Gradient ◽

Generalized Gradient Approximation

- Spin and Orbital Physics of Alkali Superoxides: p-Band Orbital Ordering

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-19 ◽

2016 ◽

pp. 258-271

Keyword(s):

Orbital Ordering ◽

Orbital Physics

- Quantum Chemistry of Highly Symmetrical Molecules and Free-Space Clusters, Plus Almost Spherical Cages of C and B Atoms

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-12 ◽

2016 ◽

pp. 116-135

Keyword(s):

Quantum Chemistry ◽

Free Space

Concepts and Methods in Modern Theoretical ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By CRC Press

Intermolecular Interactions through Energy Decomposition: A Chemist’s Perspective

- Single Determinantal Approximations: Hartree–Fock, Optimized Effective Potential Theory, Density Functional Theory

Benchmark Studies of Spectroscopic Parameters for Hydrogen Halide Series via Scalar Relativistic State-Specic Multireference Perturbation Theory

- Energy Functionals for Excited States

- Electronic Excitation Energies of Molecular Systems from the Bethe–Salpeter Equation: Example of the H2 Molecule

- Uncertainty and Entropy Properties for Coulomb and Simple Harmonic Potentials Modified by ￼

- Perfectly Periodic Table of Elements in Nonrelativistic Limit of Large Atomic Number

- Analysis of Generalized Gradient Approximation for Exchange Energy

- Spin and Orbital Physics of Alkali Superoxides: p-Band Orbital Ordering

- Quantum Chemistry of Highly Symmetrical Molecules and Free-Space Clusters, Plus Almost Spherical Cages of C and B Atoms

Concepts and Methods in Modern Theoretical Chemistry
Latest Publications

- Uncertainty and Entropy Properties for Coulomb and Simple Harmonic Potentials Modified by