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Blendung Sehvermögen Whiskey ad becke j chem phys 1993 98 5648 5652 Elevation Bremse Keim

Density‐functional thermochemistry. III. The role of exact exchange: The Journal  of Chemical Physics: Vol 98, No 7
Density‐functional thermochemistry. III. The role of exact exchange: The Journal of Chemical Physics: Vol 98, No 7

Diradicals or Zwitterions: The Chemical States of m-Benzoquinone and  Structural Variation after Storage of Li Ions | CCS Chemistry
Diradicals or Zwitterions: The Chemical States of m-Benzoquinone and Structural Variation after Storage of Li Ions | CCS Chemistry

Photoreaction of a 2,11-Diaza[3.3]paracyclophane Derivative: Formation of  Octahedrane by Photochemical Dimerization of Benzene | Journal of the  American Chemical Society
Photoreaction of a 2,11-Diaza[3.3]paracyclophane Derivative: Formation of Octahedrane by Photochemical Dimerization of Benzene | Journal of the American Chemical Society

PDF] Density-functional thermochemistry. III. The role of exact exchange |  Semantic Scholar
PDF] Density-functional thermochemistry. III. The role of exact exchange | Semantic Scholar

Polyphenyl Macrocyclic Oligophenylenes | Journal of the American Chemical  Society
Polyphenyl Macrocyclic Oligophenylenes | Journal of the American Chemical Society

On Atoms‐in‐Molecules Energies from Kohn–Sham Calculations - Tognetti -  2017 - ChemPhysChem - Wiley Online Library
On Atoms‐in‐Molecules Energies from Kohn–Sham Calculations - Tognetti - 2017 - ChemPhysChem - Wiley Online Library

Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range  Separation | The Journal of Physical Chemistry Letters
Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation | The Journal of Physical Chemistry Letters

Formation of the elusive tetrahedral P3N molecule | Science Advances
Formation of the elusive tetrahedral P3N molecule | Science Advances

A trust-region augmented Hessian implementation for restricted and  unrestricted Hartree–Fock and Kohn–Sham methods: The Journal of Chemical  Physics: Vol 154, No 16
A trust-region augmented Hessian implementation for restricted and unrestricted Hartree–Fock and Kohn–Sham methods: The Journal of Chemical Physics: Vol 154, No 16

Hybrid functionals with local range separation: Accurate atomization  energies and reaction barrier heights: The Journal of Chemical Physics: Vol  156, No 10
Hybrid functionals with local range separation: Accurate atomization energies and reaction barrier heights: The Journal of Chemical Physics: Vol 156, No 10

Computational study revealed a “pull–push” radical transfer mechanism of  Mmp10-catalyzed C δ -methylation of arginine - Chemical Communications (RSC  Publishing) DOI:10.1039/D2CC02052A
Computational study revealed a “pull–push” radical transfer mechanism of Mmp10-catalyzed C δ -methylation of arginine - Chemical Communications (RSC Publishing) DOI:10.1039/D2CC02052A

References formating with bibtex - TeX - LaTeX Stack Exchange
References formating with bibtex - TeX - LaTeX Stack Exchange

The ground and ionized states of azulene: A combined study of the  vibrational energy levels by photoionization, configuration interaction,  and density functional calculations: The Journal of Chemical Physics: Vol  156, No 6
The ground and ionized states of azulene: A combined study of the vibrational energy levels by photoionization, configuration interaction, and density functional calculations: The Journal of Chemical Physics: Vol 156, No 6

IJMS | Free Full-Text | Implicit and Explicit Coverage of Multi-reference  Effects by Density Functional Theory | HTML
IJMS | Free Full-Text | Implicit and Explicit Coverage of Multi-reference Effects by Density Functional Theory | HTML

Origin of low melting point of ionic liquids: dominant role of entropy -  Chemical Science (RSC Publishing) DOI:10.1039/D2SC02342C
Origin of low melting point of ionic liquids: dominant role of entropy - Chemical Science (RSC Publishing) DOI:10.1039/D2SC02342C

How reduced are nucleophilic gold complexes? - Dalton Transactions (RSC  Publishing) DOI:10.1039/D2DT01694J
How reduced are nucleophilic gold complexes? - Dalton Transactions (RSC Publishing) DOI:10.1039/D2DT01694J

Role of exact exchange in thermally-assisted-occupation density functional  theory: A proposal of new hybrid schemes: The Journal of Chemical Physics:  Vol 146, No 4
Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes: The Journal of Chemical Physics: Vol 146, No 4

Computation | Free Full-Text | Is There a Quadruple Fe-C Bond in FeC(CO)3?  | HTML
Computation | Free Full-Text | Is There a Quadruple Fe-C Bond in FeC(CO)3? | HTML

Benchmarking Time-Dependent Density Functional Theory for Excited State  Geometries of Organic Molecules in Gas-Phase and in Solution | Journal of  Chemical Theory and Computation
Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution | Journal of Chemical Theory and Computation

General embedded cluster protocol for accurate modeling of oxygen vacancies  in metal-oxides: The Journal of Chemical Physics: Vol 156, No 12
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides: The Journal of Chemical Physics: Vol 156, No 12

Higher-order transition state approximation: The Journal of Chemical Physics:  Vol 156, No 11
Higher-order transition state approximation: The Journal of Chemical Physics: Vol 156, No 11

Oxygen Donor-Mediated Equilibration of Diastereomeric Alkene−Palladium(II)  Intermediates in Enantioselective Desymmetrizing Heck Cyclizations | Journal  of the American Chemical Society
Oxygen Donor-Mediated Equilibration of Diastereomeric Alkene−Palladium(II) Intermediates in Enantioselective Desymmetrizing Heck Cyclizations | Journal of the American Chemical Society

Formation of the elusive tetrahedral P3N molecule | Science Advances
Formation of the elusive tetrahedral P3N molecule | Science Advances

Insights into Amine Binding to Biaryl Phosphine Palladium Oxidative  Addition Complexes and Reductive Elimination from Biaryl Phosphine  Arylpalladium Amido Complexes via Density Functional Theory | Journal of  the American Chemical Society
Insights into Amine Binding to Biaryl Phosphine Palladium Oxidative Addition Complexes and Reductive Elimination from Biaryl Phosphine Arylpalladium Amido Complexes via Density Functional Theory | Journal of the American Chemical Society