Weiter zum Inhalt
Toggle navigation
English
English
Favoritenliste (
0
)
(Voll)
Kontakt
Mein Konto
Abmeldung
Mein Konto
Suche
Erweiterte Suche
Suchverlauf
Struktursuche
Narrative Service
Drug Overviews
Info Guide
/vufind/Search/Results?lookfor=%22Hirao%2C+Kimihiko%22&type=Person&sort=year
/vufind/Search/Results?lookfor=%22Hirao%2C+Kimihiko%22&type=Person&sort=year
Search /vufind/Search2/Results?lookfor=%22Hirao%2C+Kimihiko%22&type=Person&sort=year
PubPharm (392)
1
The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy
enthalten in:
Journal of Computational Chemistry
| 2024
von
Hirao, K.
|
Nakajima, T.
|
Chan, B.
| +1
Wird geladen...
2
The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy
enthalten in:
Journal of computational chemistry
| 2024
von
Hirao, K.
|
Nakajima, T.
|
Chan, B.
| +1
Wird geladen...
3
Core-Level 2s and 2p Binding Energies of Third-Period Elements (P, S, and Cl) Calculated by Hartree-Fock and Kohn-Sham ΔSCF Theory
enthalten in:
The journal of physical chemistry. A
| 2023
von
Hirao, K.
|
Nakajima, T.
|
Chan, B.
Wird geladen...
4
The core ionization energies calculated by delta SCF and Slater's transition state theory
enthalten in:
The Journal of chemical physics
| 2023
von
Hirao, K.
|
Nakajima, T.
|
Chan, B.
| +1
Wird geladen...
5
Higher-order transition state approximation
enthalten in:
The Journal of chemical physics
| 2022
von
Nakajima, T.
|
Hirao, K.
|
Chan, B.
Wird geladen...
6
Vertical ionization potential benchmarks from Koopmans prediction of Kohn-Sham theory with long-range corrected (LC) functional
enthalten in:
Journal of physics. Condensed matter : an Institute of Physics journal
| 2022
von
Hirao, K.
|
Bae, H.
|
Song, J.
| +1
Wird geladen...
7
Taking Advantage of a Systematic Energy Non-linearity Error in Density Functional Theory for the Calculation of Electronic Energy Levels
enthalten in:
The journal of physical chemistry. A
| 2021
von
Chan, B.
|
Dawson, W.
|
Nakajima, T.
| +1
Wird geladen...
8
An improved Slater's transition state approximation
enthalten in:
The Journal of chemical physics
| 2021
von
Hirao, K.
|
Nakajima, T.
|
Chan, B.
Wird geladen...
9
Koopmans'-Type Theorem in Kohn-Sham Theory with Optimally Tuned Long-Range-Corrected (LC) Functionals
enthalten in:
The journal of physical chemistry. A
| 2021
von
Hirao, K.
|
Bae, H.
|
Song, J.
| +1
Wird geladen...
10
Core-Level Excitation Energies of Nucleic Acid Bases Expressed as Orbital Energies of the Kohn-Sham Density Functional Theory with Long-Range Corrected Functionals
enthalten in:
The journal of physical chemistry. A
| 2020
von
Hirao, K.
|
Nakajima, T.
|
Chan, B.
| +2
Wird geladen...
1
2
3
4
5
6
7
8
9
10
11
Nächster »
[40]
Filter & Sortierung
Treffer pro Seite
10
20
50
Sortieren
Relevanz
Neueste zuerst
Älteste zuerst
Verfasser
Zeitschriftentitel
Bibliothek
Standort (Printmedien)
Verwandte Substanzen
Verwandte Substanzen werden ermittelt...
Verwandte Erkrankungen/Symptome
Verwandte Erkrankungen/Symptome werden ermittelt...
Verwandte Gene
Verwandte Gene werden ermittelt...
Systematic Reviews
Clinical Studies
Patente
Covid-19/SARS-CoV-2
Exclude Systematic Reviews
Exclude Clinical Studies
Exclude Patents
Medienart
389
Aufsätze
254
Gedruckte Aufsätze
136
E-Ressourcen
135
E-Artikel
3
Bücher
2
Gedruckte Bücher
1
E-Books
Alle anzeigen ...
weniger ...
Zeitschriftentitel
104
The journal of chemical physics
54
The Journal of chemical physics
38
The Journal of Chemical Physics
35
Theoretical chemistry accounts
34
Journal of computational chemistry
33
Chemical physics letters
12
The journal of physical chemistry. A
7
Journal of molecular structure / Theochem
6
Monatshefte für Chemie
5
Journal of the American Chemical Society
5
The journal of physical chemistry. B
4
Molecular physics
4
Physical chemistry chemical physics : PCCP
4
Physical chemistry, chemical physics
4
The journal of physical chemistry
3
International journal of quantum chemistry
3
Journal of chemical theory and computation
3
Journal of theoretical & computational chemistry
3
The journal of physical chemistry <Washington, DC>
2
Analytical sciences
Alle anzeigen ...
weniger ...
Thema
107
Journal Article
17
Research Support, Non-U.S. Gov't
7
DFT
6
Density functional theory (DFT)
5
9007-49-2
5
DNA
5
thermochemistry
4
correlation functional
3
Chem Phys
3
Condensation reaction enthalpies
3
Coupling Term
3
Double point group symmetry
3
Irreducible representation matrices
3
Isomerization energy
3
LC-DFT
3
Long-range correction (LC)
3
Long-range correction (LC) scheme
3
Maximum radius – Perturbation theory – Conv...
3
Non-orthogonal Kohn-Sham method – Partially f...
3
Parallel – Input/Output – Semidirect – in...
Alle anzeigen ...
weniger ...
Erscheinungszeitraum
307
2000-
51
1900-1999
Erscheinungsjahr(e)
Von:
Bis:
Sprache
199
Englisch
Haven't found what you're looking for?
Wird geladen...