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...

Advances in Quantum Chemistry

Hoggan, Philip E

2023

Volltextzugriff (PDF)

Novel Electronic Structure Theory

Hoggan, Philip E

1, 2018

Volltextzugriff (PDF)

Uranium silicide pellet fabrication by powder metallurgy for accident tolerant fuel evaluation and irradiation

Journal of nuclear materials, 2015-11, Vol.466 (C), p.728-738

2015

Volltextzugriff (PDF)

Complete and orthonormal sets of exponential-type orbitals with non-integer quantum numbers

Journal of physics. A, Mathematical and theoretical, 2023-08, Vol.56 (33), p.335205

2023

Volltextzugriff (PDF)

Electron Correlation in Molecules - Ab Initio Beyond Gaussian Quantum Chemistry

1, 2016

Volltextzugriff (PDF)

Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H 2 + Cu(111)

Journal of chemical theory and computation, 2017-07, Vol.13 (7), p.3208-3219

2017

Volltextzugriff (PDF)

Quantum Monte Carlo Calculations on a Benchmark Molecule–Metal Surface Reaction: H2 + Cu(111)

Journal of chemical theory and computation, 2017-07, Vol.13 (7), p.3208-3219

2017

Volltextzugriff (PDF)

Quantum Monte Carlo Approach for Determining the Activation Barrier of Water Addition to Carbon Monoxide Adsorbed on Pt(111) within 1 kJ/mol

Journal of physical chemistry. C, 2020-12, Vol.124 (48), p.26232-26240

2020

Volltextzugriff (PDF)

Angle-resolved X-ray photoelectron spectroscopy intensity modeling of SiNx ultrathin layer grown on Si (100) and Si (111) substrates by N2 plasma treatment

Thin solid films, 2024-06, Vol.798, p.140388, Article 140388

2024

Volltextzugriff (PDF)

Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules

Journal of chemical theory and computation, 2016-06, Vol.12 (6), p.2583-2597

2016

Volltextzugriff (PDF)

New Electron Correlation Methods and Their Applications, and Use of Atomic Orbitals with Exponential Asymptotes

1, 2021

Volltextzugriff (PDF)

Si Doping of Vapor–Liquid–Solid GaAs Nanowires: n‑Type or p‑Type?

Nano letters, 2019-07, Vol.19 (7), p.4498-4504

2019

Volltextzugriff (PDF)

Quantum Monte Carlo simulation of carbon monoxide reactivity when adsorbed at metal and oxide catalyst surfaces: Trial wave-functions with exponential type basis and quasi-exact three-body correlation

International journal of quantum chemistry, 2013-02, Vol.113 (3), p.277-285

Hoggan, Philip E.

2013

Volltextzugriff (PDF)

Selective hydrogen production at Pt(111) investigated by Quantum Monte Carlo methods for metal catalysis

International journal of quantum chemistry, 2020-06, Vol.120 (11), p.1-n/a

2020

Volltextzugriff (PDF)

Microstructure studies of interdiffusion behavior of U3Si2/Zircaloy-4 at 800 and 1000 °C

Journal of nuclear materials, 2017-04, Vol.486 (C), p.274-282

2017

Volltextzugriff (PDF)

Benchmark values for molecular three-center integrals arising in the Dirac equation

Physical review. E, Statistical, nonlinear, and soft matter physics, 2015-10, Vol.92 (4), p.043301-043301, Article 043301

2015

Volltextzugriff (PDF)

Quantum Monte Carlo for activated reactions at solid surfaces: Time well spent on stretched bonds

International journal of quantum chemistry, 2014-09, Vol.114 (17), p.1150-1156

2014

Volltextzugriff (PDF)

Analytical evaluation of relativistic molecular integrals. I. Auxiliary functions

Atti della Accademia nazionale dei Lincei. Rendiconti Lincei. Matematica e applicazioni, 2018-03, Vol.29 (1), p.191-197

2018

Volltextzugriff (PDF)

Analytical evaluation of relativistic molecular integrals: III. Computation and results for molecular auxiliary functions

Atti della Accademia nazionale dei Lincei. Rendiconti Lincei. Scienze fisiche e naturali, 2020-12, Vol.31 (4), p.1089-1103

2020

Volltextzugriff (PDF)

Benchmark values for molecular two-electron integrals arising from the Dirac equation

Physical review. E, Statistical, nonlinear, and soft matter physics, 2015-02, Vol.91 (2), p.023303-023303, Article 023303

2015

Volltextzugriff (PDF)

The meaning of the virtual Midas touch: An ERP study in economic decision making

Psychophysiology, 2015-03, Vol.52 (3), p.378-387

2015

Volltextzugriff (PDF)

Hydrothermal synthesis of silicon oxide clad uranium oxide nanowires

Journal of the American Ceramic Society, 2018-03, Vol.101 (3), p.1004-1008

2018

Volltextzugriff (PDF)

Analytical evaluation of relativistic molecular integrals. II: Method of computation for molecular auxiliary functions involved

Atti della Accademia nazionale dei Lincei. Rendiconti Lincei. Scienze fisiche e naturali, 2018-12, Vol.29 (4), p.765-775

2018

Volltextzugriff (PDF)

Advances in Quantum Chemistry

Hoggan, Philip E

1, 2023

Volltextzugriff (PDF)

Rotation matrices for real spherical harmonics: general rotations of atomic orbitals in space-fixed axes

Journal of physics. A, Mathematical and theoretical, 2007-02, Vol.40 (7), p.1597-1610

2007

Volltextzugriff (PDF)

1 – 25 von 222

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(167)
Mit Volltextzugriff
(157)

Publikationsform

1 weiteren anzeigen...

Weniger anzeigen...

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(147)
Physical Sciences
(115)
Chemistry
(110)
Chemistry, Physical
(96)
Physics
(86)
Physics, Atomic, Molecular & Chemical
(55)
Physics, Multidisciplinary
(33)
Technology
(26)
Chemistry & Chemical Engineering
(23)
General References
(23)
Quantum Chemistry
(21)
Life Sciences & Biomedicine
(18)
Quantum Science & Technology
(17)
Materials Science
(16)
Mathematics
(15)
Mathematics, Interdisciplinary Applications
(15)
Exact Sciences And Technology
(11)
Physical Chemistry
(11)
Materials Science, Multidisciplinary
(10)
Chemical Sciences
(9)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Advances in Quantum Chemistry

Novel Electronic Structure Theory

Uranium silicide pellet fabrication by powder metallurgy for accident tolerant fuel evaluation and irradiation

Complete and orthonormal sets of exponential-type orbitals with non-integer quantum numbers

Electron Correlation in Molecules - Ab Initio Beyond Gaussian Quantum Chemistry

Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H 2 + Cu(111)

Quantum Monte Carlo Calculations on a Benchmark Molecule–Metal Surface Reaction: H2 + Cu(111)

Quantum Monte Carlo Approach for Determining the Activation Barrier of Water Addition to Carbon Monoxide Adsorbed on Pt(111) within 1 kJ/mol

Angle-resolved X-ray photoelectron spectroscopy intensity modeling of SiNx ultrathin layer grown on Si (100) and Si (111) substrates by N2 plasma treatment

Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules

New Electron Correlation Methods and Their Applications, and Use of Atomic Orbitals with Exponential Asymptotes

Si Doping of Vapor–Liquid–Solid GaAs Nanowires: n‑Type or p‑Type?

Quantum Monte Carlo simulation of carbon monoxide reactivity when adsorbed at metal and oxide catalyst surfaces: Trial wave-functions with exponential type basis and quasi-exact three-body correlation

Selective hydrogen production at Pt(111) investigated by Quantum Monte Carlo methods for metal catalysis

Microstructure studies of interdiffusion behavior of U3Si2/Zircaloy-4 at 800 and 1000 °C

Benchmark values for molecular three-center integrals arising in the Dirac equation

Quantum Monte Carlo for activated reactions at solid surfaces: Time well spent on stretched bonds

Analytical evaluation of relativistic molecular integrals. I. Auxiliary functions

Analytical evaluation of relativistic molecular integrals: III. Computation and results for molecular auxiliary functions

Benchmark values for molecular two-electron integrals arising from the Dirac equation

The meaning of the virtual Midas touch: An ERP study in economic decision making

Hydrothermal synthesis of silicon oxide clad uranium oxide nanowires

Analytical evaluation of relativistic molecular integrals. II: Method of computation for molecular auxiliary functions involved

Advances in Quantum Chemistry

Rotation matrices for real spherical harmonics: general rotations of atomic orbitals in space-fixed axes

Suchergebnisse filtern