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コレクション
MDR lattice thermal conductivity calculation database(4811)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(103)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(103)
The 28th International Workshop on Rare Earth and Future Permanent Magnets and Their Applications (REPM2025)(24)
Research Highlights(18)
The history of DICE and NIMS Digital Library(5)
SuperCon Knowledge Collection(4)
CPDDB(2)
MANA E-BULLETIN(2)
READS: Database of Promising Adsorbents for Decontamination of Radioactive Substances(1)
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キーワード
Lattice thermal conductivity (4812)
Phonon (207)
thermoelectric (44)
graphene (33)
2D materials (25)
machine learning (25)
REPM2025 (24)
Machine learning (18)
hexagonal boron nitride (18)
transmission electron microscopy (17)
(more)
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Creative Commons BY Attribution 4.0 International (6029)
In Copyright (657)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (328)
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cc-by-3.0 (31)
cc-by-nc-3.0 (15)
http://arxiv.org/licenses/nonexclusive-distrib/1.0/ (15)
https://creativecommons.org/licenses/by-nc/3.0/ (6)
https://creativecommons.org/licenses/by-nc/3.0/legalcode (6)
https://creativecommons.org/licenses/by/3.0/ (5)
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application/x-xz (5019)
image/png (4813)
text/x-log (4811)
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application/zip (37)
image/jpeg (17)
application/vnd.openxmlformats-officedocument.spreadsheetml.sheet (9)
text/csv (9)
application/msword (8)
計算手法
https://matvoc.nims.go.jp/entity/Q21 (1)
計測法
X線光電子分光法 (1)
試料種別
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B-H tracer (1)
BL23_XPS (1)
CaTCalc (1)
Carl Zeiss Crossbeam 1540 EsB FIB/SEM (1)
DigiPD system (1)
FactSage (1)
OpenCALPHAD (1)
PANDAT (1)
Thermo-Calc (1)
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(1)
7271 件のレコードが見つかりました。
Intramolecular Versus Intermolecular Bonding in Drug Gemcitabine and Nucleobases: A Computational Study
ジャーナル論文
著者
Natarajan Sathiyamoorthy Venkataramanan
(author) (
この著者で検索
)
Natarajan Sathiyamoorthy Venkataramanan
;
Ambigapathy Suvitha
(author) (
この著者で検索
)
Ambigapathy Suvitha
;
Ryoji Sahara
(author) (
この著者で検索
)
https://orcid.org/0000-0003-0788-2985
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ryoji Sahara
キーワード
drug
,
nucleobases
,
non-covalent interactions
,
DFT calculations
,
energy decomposition analysis
刊行年月日
2025-06-25
更新時刻
2025-11-27 08:30:18 +0900
キーワード
Lattice thermal conductivity
(4812)
Phonon
(207)
thermoelectric
(44)
graphene
(33)
2D materials
(25)
machine learning
(25)
REPM2025
(24)
Machine learning
(18)
hexagonal boron nitride
(18)
transmission electron microscopy
(17)
Ga2O3
(15)
Spintronics
(15)
MoS2
(14)
WSe2
(14)
microstructure
(14)
nanomechanical sensors
(14)
First-principles calculation
(13)
Graphene
(13)
Microstructure
(13)
organic semiconductor
(13)
spintronics
(13)
Diamond
(12)
Hydrogen
(12)
density functional theory
(12)
photoluminescence
(12)
Nb3Sn
(11)
Perovskite Solar Cells
(11)
transition metal dichalcogenides
(11)
GaN
(10)
IMFP
(10)
Moiré superlattices
(10)
Nanoarchitectonics
(10)
scanning tunneling microscopy
(10)
Additive manufacturing
(9)
CALPHAD
(9)
Heusler alloy
(9)
Hydrogen embrittlement
(9)
Laser powder bed fusion
(9)
Moiré superlattice
(9)
Transition metal dichalcogenides
(9)
Van der Waals heterostructures
(9)
phonon
(9)
scanning transmission electron microscopy
(9)
thermal conductivity
(9)
thermoelectric materials
(9)
thin films
(9)
Heusler alloys
(8)
MEMS
(8)
Nanoindentation
(8)
Twisted bilayer graphene
(8)
anomalous Hall effect
(8)
anomalous Nernst effect
(8)
diamond
(8)
first-principles calculation
(8)
superconductivity
(8)
van der Waals materials
(8)
Austenitic steel
(7)
BiOF
(7)
DFT
(7)
Electrocatalysis
(7)
First-principles calculations
(7)
Quantum Hall effect
(7)
Superconductivity
(7)
Thermal conductivity
(7)
TiO2
(7)
atom probe tomography
(7)
band structure
(7)
bilayer graphene
(7)
chemical vapor deposition
(7)
interlayer excitons
(7)
materials informatics
(7)
nanoarchitectonics
(7)
permanent magnet
(7)
van der Waals heterostructures
(7)
Al2O3
(6)
Bilayer graphene
(6)
Coercivity
(6)
Excitons
(6)
FePt
(6)
Hardness
(6)
Interface
(6)
NMR
(6)
Nanoparticle
(6)
Ontology
(6)
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(6)
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(6)
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(6)
ZnO
(6)
ZrO2
(6)
crystal structure
(6)
current effect
(6)
electron microscopy
(6)
excitons
(6)
fullerene
(6)
interface
(6)
mechanical properties
(6)
on-surface synthesis
(6)
reservoir computing
(6)
self-assembly
(6)
spark plasma sintering
(6)
structure
(6)
surface
(6)
Al(HO)3
(5)
AlHO2
(5)
BIC
(5)
Curie temperature
(5)
GaAs
(5)
Glass
(5)
Hexagonal boron nitride
(5)
HfO2
(5)
Josephson junction
(5)
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(5)
Luminescence
(5)
Machine Learning
(5)
Magic-angle twisted bilayer graphene
(5)
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(5)
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(5)
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(5)
Mechanical property
(5)
Mechanobiology
(5)
Na2Si2O5
(5)
Oxygen evolution reaction
(5)
Phthalocyanine
(5)
Scanning tunneling microscopy
(5)
SiO2
(5)
Spin-orbit coupling
(5)
Strength
(5)
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(5)
Superconductors
(5)
Thermoelectric
(5)
carbon nanotube
(5)
carbon nanotubes
(5)
chirality
(5)
coercivity
(5)
crystal growth
(5)
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(5)
epitaxial growth
(5)
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(5)
ferromagnetism
(5)
first-principles calculations
(5)
ion-gating reservoir
(5)
luminescence
(5)
magnetic properties
(5)
metal-organic frameworks
(5)
moiré potential
(5)
nanoindentation
(5)
permanent magnets
(5)
phase diagram
(5)
semiconductor
(5)
silicide
(5)
single crystal
(5)
sorption kinetics
(5)
swift heavy ion
(5)
thin film
(5)
tissue engineering
(5)
transverse thermoelectric conversion
(5)
van der Waals heterostructures
(5)
zirconia
(5)
AgI
(4)
Anomalous Nernst effect
(4)
Atomic force microscopy
(4)
Ba(HO)2
(4)
Bayesian optimization
(4)
Cd(InSe2)2
(4)
CdI2
(4)
Chern insulator
(4)
CpG oligodeoxynucleotides
(4)
Crystal structure
(4)
EBSD
(4)
EPES
(4)
Ferromagnetic resonance
(4)
Flat bands
(4)
HVPE
(4)
Half-metals
(4)
Hastelloy X
(4)
Hexagonal boron nitride (hBN)
(4)
High-pressure synthesis
(4)
Ho2S3
(4)
Josephson junctions
(4)
Landau levels
(4)
Layered double hydroxide
(4)
Li3PO4
(4)
Lock-in thermography
(4)
MXene
(4)
Magnetization dynamics
(4)
Mechanical metamaterials
(4)
MgH2
(4)
MgSiO3
(4)
Micromagnetic simulations
(4)
MoTe2
(4)
Na3CuO2
(4)
Nanostructure
(4)
Nd-Fe-B
(4)
Nd-Fe-B magnet
(4)
Neuromorphic computing
(4)
Neutron diffraction
(4)
Nonreciprocal transport
(4)
Polymorphism
(4)
Quantum materials
(4)
RDF
(4)
RDEメタデータ定義
RDE送り状
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…
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絞り込み
コレクション
MDR lattice thermal conductivity calculation database(4811)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(103)
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(103)
The 28th International Workshop on Rare Earth and Future Permanent Magnets and Their Applications (REPM2025)(24)
Research Highlights(18)
The history of DICE and NIMS Digital Library(5)
SuperCon Knowledge Collection(4)
CPDDB(2)
MANA E-BULLETIN(2)
READS: Database of Promising Adsorbents for Decontamination of Radioactive Substances(1)
資源タイプ
データセット(5050)
ジャーナル論文(2085)
プレゼンテーション(62)
会議発表ポスター(32)
雑誌(20)
プロシーディングス論文(9)
書籍(4)
書籍の一部(4)
報告書(3)
ソフトウェア(2)
キーワード
Lattice thermal conductivity (4812)
Phonon (207)
thermoelectric (44)
graphene (33)
2D materials (25)
machine learning (25)
REPM2025 (24)
Machine learning (18)
hexagonal boron nitride (18)
transmission electron microscopy (17)
(more)
ライセンス
Creative Commons BY Attribution 4.0 International (6029)
In Copyright (657)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (328)
Creative Commons BY-NC Attribution-NonCommercial 4.0 International (128)
cc-by-3.0 (31)
cc-by-nc-3.0 (15)
http://arxiv.org/licenses/nonexclusive-distrib/1.0/ (15)
https://creativecommons.org/licenses/by-nc/3.0/ (6)
https://creativecommons.org/licenses/by-nc/3.0/legalcode (6)
https://creativecommons.org/licenses/by/3.0/ (5)
ファイル種別
application/x-xz (5019)
image/png (4813)
text/x-log (4811)
application/pdf (2012)
application/vnd.openxmlformats-officedocument.wordprocessingml.document (229)
application/zip (37)
image/jpeg (17)
application/vnd.openxmlformats-officedocument.spreadsheetml.sheet (9)
text/csv (9)
application/msword (8)
計算手法
https://matvoc.nims.go.jp/entity/Q21 (1)
計測法
X線光電子分光法 (1)
試料種別
金属・合金 (1)
装置名
B-H tracer (1)
BL23_XPS (1)
CaTCalc (1)
Carl Zeiss Crossbeam 1540 EsB FIB/SEM (1)
DigiPD system (1)
FactSage (1)
OpenCALPHAD (1)
PANDAT (1)
Thermo-Calc (1)
装置型番
(1)