UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Development of an excited-state calculation method for large systems using dynamical polarizability: A divide-and-conquer approach at the time-dependent density functional level

The Journal of chemical physics, 2017-03, Vol.146 (12), p.124123-124123

2017

Volltextzugriff (PDF)

Large-scale excited-state calculation using dynamical polarizability evaluated by divide-and-conquer based coupled cluster linear response method

The Journal of chemical physics, 2020-01, Vol.152 (2), p.024102-024102

2020

Volltextzugriff (PDF)

Machine-learned electron correlation model based on correlation energy density at complete basis set limit

The Journal of chemical physics, 2019-07, Vol.151 (2), p.024104-024104

2019

Volltextzugriff (PDF)

Refining of silicon during its solidification from a Si–Al melt

Journal of crystal growth, 2009-01, Vol.311 (3), p.776-779

2009

Volltextzugriff (PDF)

Finite-temperature-based time-dependent density-functional theory method for static electron correlation systems

The Journal of chemical physics, 2020-06, Vol.152 (24), p.244111-244111

2020

Volltextzugriff (PDF)

Large-Scale Molecular Dynamics Simulation for Ground and Excited States Based on Divide-and-Conquer Long-Range Corrected Density-Functional Tight-Binding Method

Journal of chemical theory and computation, 2020-04, Vol.16 (4), p.2369-2378

2020

Volltextzugriff (PDF)

GPU‐Accelerated Large‐Scale Excited‐State Simulation Based on Divide‐and‐Conquer Time‐Dependent Density‐Functional Tight‐Binding

Journal of computational chemistry, 2019-12, Vol.40 (31), p.2778-2786

2019

Volltextzugriff (PDF)

Availability of Cr-rich Cr-Si solvent for rapid solution growth of 4H-SiC

Journal of crystal growth, 2020-11, Vol.549, p.125877, Article 125877

2020

Volltextzugriff (PDF)

Trajectory Surface Hopping Approach to Condensed-Phase Nonradiative Relaxation Dynamics Using Divide-and-Conquer Spin-Flip Time-Dependent Density-Functional Tight Binding

Journal of chemical theory and computation, 2021-03, Vol.17 (3), p.1290-1300

2021

Volltextzugriff (PDF)

Suppressing solvent compositional change during solution growth of SiC using SiC/C gradient crucible

Journal of crystal growth, 2021-12, Vol.576, p.126382, Article 126382

2021

Volltextzugriff (PDF)

Density, surface tension, and viscosity of liquid Si–Cr alloys and influence on temperature and fluid flow during solution growth of SiC

The Journal of chemical thermodynamics, 2021-09, Vol.160, p.106476, Article 106476

2021

Volltextzugriff (PDF)

Structure-Directing Behaviors of Tetraethylammonium Cations toward Zeolite Beta Revealed by the Evolution of Aluminosilicate Species Formed during the Crystallization Process

Journal of the American Chemical Society, 2015-11, Vol.137 (45), p.14533-14544

2015

Volltextzugriff (PDF)

A sessile drop approach for studying 4H-SiC/liquid silicon high-temperature interface reconstructions

Journal of materials science, 2022-01, Vol.57 (2), p.972-982

2022

Volltextzugriff (PDF)

An Evolving Method for Solar-Grade Silicon Production: Solvent Refining

JOM (1989), 2012-08, Vol.64 (8), p.946-951

2012

Volltextzugriff (PDF)

Fractional-occupation-number based divide-and-conquer coupled-cluster theory

Chemical physics letters, 2018-11, Vol.712, p.184-189

2018

Volltextzugriff (PDF)

Unveiling controlling factors of the S0/S1 minimum energy conical intersection (2): Application to penalty function method

The Journal of chemical physics, 2020-04, Vol.152 (14), p.144108-144108

2020

Volltextzugriff (PDF)

Measurement and Thermodynamics of Carbon Solubilities in Molten Si–Fe, Si–Ni, and Si–Cr–Fe Alloys at 2073 K

ISIJ International, 2020/10/15, Vol.60(10), pp.2123-2128

2020

Volltextzugriff (PDF)

Widening Synthesis Bottlenecks: Realization of Ultrafast and Continuous-Flow Synthesis of High-Silica Zeolite SSZ-13 for NOx Removal

Angewandte Chemie International Edition, 2015-05, Vol.54 (19), p.5683-5687

International ed. in English, 2015

Volltextzugriff (PDF)

Effect of Wettability on Droplet Agglomeration in Two Immiscible Liquids

ISIJ International, 2024/06/15, Vol.64(8), pp.1334-1337

2024

Volltextzugriff (PDF)

Surface Tensions of Fe-(30-40 mol%) Si-C Alloys at 1523-1723 K

Materials transactions, 2013-10, Vol.54 (10), p.1968-1974

Yoshikawa, Takeshi

2013

Volltextzugriff (PDF)

Spin‐flip approach within time‐dependent density functional tight‐binding method: Theory and applications

Journal of computational chemistry, 2020-06, Vol.41 (16), p.1538-1548

2020

Volltextzugriff (PDF)

Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units

Journal of computational chemistry, 2015-01, Vol.36 (3), p.164-170

2015

Volltextzugriff (PDF)

Contribution of Dislocations in SiC Seed Crystals on the Melt-Back Process in SiC Solution Growth

Materials, 2022-02, Vol.15 (5), p.1796

2022

Volltextzugriff (PDF)

Unveiling controlling factors of the S0/S1 minimum-energy conical intersection (3): Frozen orbital analysis based on the spin-flip theory

The Journal of chemical physics, 2023-05, Vol.158 (20)

2023

Volltextzugriff (PDF)

The flavonoid apigenin inhibits hepatitis C virus replication by decreasing mature microRNA122 levels

Virology (New York, N.Y.), 2014-08, Vol.462, p.42-48

2014

Volltextzugriff (PDF)

1 – 25 von 3.076

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(2.328)
Mit Volltextzugriff
(2.600)

Publikationsform

1 weiteren anzeigen...

Weniger anzeigen...

Sprache

Englisch
(2.757)
Japanisch
(439)
Französisch
(4)
Deutsch
(2)

Erscheinungsjahr

n.n

Thema

Science & Technology
(1.733)
Life Sciences & Biomedicine
(1.158)
Humans
(838)
Male
(606)
Female
(536)
Middle Aged
(385)
Aged
(378)
Physical Sciences
(345)
Technology
(307)
Biological And Medical Sciences
(279)
Adult
(255)
Animals
(253)
Cardiovascular System & Cardiology
(226)
Medical Sciences
(206)
Cardiac & Cardiovascular Systems
(197)
Medicine
(159)
Chemistry
(153)
Oncology
(149)
Radiology, Nuclear Medicine & Medical Imaging
(140)
Aged, 80 And Over
(139)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Development of an excited-state calculation method for large systems using dynamical polarizability: A divide-and-conquer approach at the time-dependent density functional level

Large-scale excited-state calculation using dynamical polarizability evaluated by divide-and-conquer based coupled cluster linear response method

Machine-learned electron correlation model based on correlation energy density at complete basis set limit

Refining of silicon during its solidification from a Si–Al melt

Finite-temperature-based time-dependent density-functional theory method for static electron correlation systems

Large-Scale Molecular Dynamics Simulation for Ground and Excited States Based on Divide-and-Conquer Long-Range Corrected Density-Functional Tight-Binding Method

GPU‐Accelerated Large‐Scale Excited‐State Simulation Based on Divide‐and‐Conquer Time‐Dependent Density‐Functional Tight‐Binding

Availability of Cr-rich Cr-Si solvent for rapid solution growth of 4H-SiC

Trajectory Surface Hopping Approach to Condensed-Phase Nonradiative Relaxation Dynamics Using Divide-and-Conquer Spin-Flip Time-Dependent Density-Functional Tight Binding

Suppressing solvent compositional change during solution growth of SiC using SiC/C gradient crucible

Density, surface tension, and viscosity of liquid Si–Cr alloys and influence on temperature and fluid flow during solution growth of SiC

Structure-Directing Behaviors of Tetraethylammonium Cations toward Zeolite Beta Revealed by the Evolution of Aluminosilicate Species Formed during the Crystallization Process

A sessile drop approach for studying 4H-SiC/liquid silicon high-temperature interface reconstructions

An Evolving Method for Solar-Grade Silicon Production: Solvent Refining

Fractional-occupation-number based divide-and-conquer coupled-cluster theory

Unveiling controlling factors of the S0/S1 minimum energy conical intersection (2): Application to penalty function method

Measurement and Thermodynamics of Carbon Solubilities in Molten Si–Fe, Si–Ni, and Si–Cr–Fe Alloys at 2073 K

Widening Synthesis Bottlenecks: Realization of Ultrafast and Continuous-Flow Synthesis of High-Silica Zeolite SSZ-13 for NOx Removal

Effect of Wettability on Droplet Agglomeration in Two Immiscible Liquids

Surface Tensions of Fe-(30-40 mol%) Si-C Alloys at 1523-1723 K

Spin‐flip approach within time‐dependent density functional tight‐binding method: Theory and applications

Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units

Contribution of Dislocations in SiC Seed Crystals on the Melt-Back Process in SiC Solution Growth

Unveiling controlling factors of the S0/S1 minimum-energy conical intersection (3): Frozen orbital analysis based on the spin-flip theory

The flavonoid apigenin inhibits hepatitis C virus replication by decreasing mature microRNA122 levels

Suchergebnisse filtern