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...

Implementation of the self-consistent phonons method with ab initio potentials (AI-SCP)

The Journal of chemical physics, 2023-05, Vol.158 (19)

2023

Volltextzugriff (PDF)

Monitoring Water Clusters “Melt” Through Vibrational Spectroscopy

Journal of the American Chemical Society, 2017-05, Vol.139 (20), p.7082-7088

2017

Volltextzugriff (PDF)

Molecular Spectra Calculations Using an Optimized Quasi-Regular Gaussian Basis and the Collocation Method

Journal of chemical theory and computation, 2021-11, Vol.17 (11), p.7169-7177

2021

Volltextzugriff (PDF)

Diffusion Monte Carlo studies of MB-pol (H2O)2−6 and (D2O)2−6 clusters: Structures and binding energies

The Journal of chemical physics, 2016-08, Vol.145 (6)

2016

Volltextzugriff (PDF)

The Loss of Size Sensitivity in para-Hydrogen Clusters Due to the Strong Quantum Delocalization

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-10, Vol.124 (42), p.8766-8777

2020

Volltextzugriff (PDF)

Sampling general distributions with quasi-regular grids: Application to the vibrational spectra calculations

The Journal of chemical physics, 2019-12, Vol.151 (24), p.241105-241105

2019

Volltextzugriff (PDF)

Quantum Melting and Isotope Effects from Diffusion Monte Carlo Studies of p‑H2 Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-08, Vol.121 (33), p.6341-6348

2017

Volltextzugriff (PDF)

Quantum-induced solid-solid transitions and melting in the Lennard-Jones LJ38 cluster

The Journal of chemical physics, 2018-09, Vol.149 (10), p.104305-104305

2018

Volltextzugriff (PDF)

Comment on "Benchmarking compressed sensing, super-resolution, and filter diagonalization" (Int. J. Quantum Chem. 2016, 116, 1097)

International journal of quantum chemistry, 2016-12, Vol.116 (23), p.1814-1817

Mandelshtam, Vladimir A.

2016

Volltextzugriff (PDF)

Nuclear Quantum Effects and Thermodynamic Properties for Small (H2O)1–21X– Clusters (X– = F–, Cl–, Br–, I–)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (16), p.4167-4180

2018

Volltextzugriff (PDF)

Quantum Melting and Isotope Effects from Diffusion Monte Carlo Studies of p-H 2 Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-08, Vol.121 (33), p.6341-6348

2017

Volltextzugriff (PDF)

Magic numbers, quantum delocalization, and orientational disordering in anionic hydrogen and deuterium clusters

The Journal of chemical physics, 2019-05, Vol.150 (20), p.204305-204305

2019

Volltextzugriff (PDF)

Self-consistent phonons revisited. II. A general and efficient method for computing free energies and vibrational spectra of molecules and clusters

The Journal of chemical physics, 2013-01, Vol.138 (4), p.044317-044317

2013

Volltextzugriff (PDF)

Nuclear Quantum Effects and Thermodynamic Properties for Small (H 2 O) 1-21 X - Clusters (X - = F - , Cl - , Br - , I - )

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (16), p.4167-4180

2018

Volltextzugriff (PDF)

Assessing the Performance of the Diffusion Monte Carlo Method As Applied to the Water Monomer, Dimer, and Hexamer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-06, Vol.119 (24), p.6504-6515

2015

Volltextzugriff (PDF)

Self-consistent phonons revisited. I. The role of thermal versus quantum fluctuations on structural transitions in large Lennard-Jones clusters

The Journal of chemical physics, 2012-10, Vol.137 (14), p.144106

2012

Volltextzugriff (PDF)

Binding energies from diffusion Monte Carlo for the MB-pol H2O and D2O dimer: A comparison to experimental values

The Journal of chemical physics, 2015-10, Vol.143 (14), p.144303-144303

2015

Volltextzugriff (PDF)

Low-temperature structural transitions: circumventing the broken-ergodicity problem

Physical review letters, 2007-03, Vol.98 (10), p.105701-105701, Article 105701

2007

Volltextzugriff (PDF)

Comment on “New Generalization of Supersymmetric Quantum Mechanics to Arbitrary Dimensionality or Number of Distinguishable Particles”

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-02, Vol.115 (5), p.948-949

Mandelshtam, Vladimir A

2011

Volltextzugriff (PDF)

Reconstruction of Abel-transformable images: The Gaussian basis-set expansion Abel transform method

Review of scientific instruments, 2002-07, Vol.73 (7), p.2634-2642

2002

Volltextzugriff (PDF)

A fast variational Gaussian wavepacket method: Size-induced structural transitions in large neon clusters

The Journal of chemical physics, 2011-10, Vol.135 (15), p.154106-154106-6

2011

Volltextzugriff (PDF)

On the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: an application to water hexamer

The Journal of chemical physics, 2013-11, Vol.139 (20), p.204104-204104

2013

Volltextzugriff (PDF)

Equilibrium properties of quantum water clusters by the variational Gaussian wavepacket method

The Journal of chemical physics, 2008-03, Vol.128 (9), p.094304-094304

2008

Volltextzugriff (PDF)

Filter diagonalization method for processing PFG NMR data

Journal of magnetic resonance (1997), 2013-09, Vol.234, p.125-134

2013

Volltextzugriff (PDF)

Correction to “Comment on ‘New Generalization of Supersymmetric Quantum Mechanics to Arbitrary Dimensionality or Number of Distinguishable Particles’”

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-03, Vol.115 (11), p.2446-2446

Mandelshtam, Vladimir A

2011

Volltextzugriff (PDF)

1 – 25 von 108

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(94)
Mit Volltextzugriff
(106)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(80)
Physical Sciences
(75)
Physics
(73)
Physics, Atomic, Molecular & Chemical
(56)
Chemistry
(46)
Chemistry, Physical
(43)
Life Sciences & Biomedicine
(19)
Technology
(19)
Spectroscopy
(17)
Biochemistry & Molecular Biology
(15)
Biochemical Research Methods
(14)
Filter Diagonalization Method
(10)
Computer Simulation
(9)
Potential Energy
(7)
Algorithms
(6)
Physics, Mathematical
(6)
Physics, Multidisciplinary
(6)
Signal Processing, Computer-Assisted
(6)
Fdm
(5)
Hamiltonians
(5)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Implementation of the self-consistent phonons method with ab initio potentials (AI-SCP)

Monitoring Water Clusters “Melt” Through Vibrational Spectroscopy

Molecular Spectra Calculations Using an Optimized Quasi-Regular Gaussian Basis and the Collocation Method

Diffusion Monte Carlo studies of MB-pol (H2O)2−6 and (D2O)2−6 clusters: Structures and binding energies

The Loss of Size Sensitivity in para-Hydrogen Clusters Due to the Strong Quantum Delocalization

Sampling general distributions with quasi-regular grids: Application to the vibrational spectra calculations

Quantum Melting and Isotope Effects from Diffusion Monte Carlo Studies of p‑H2 Clusters

Quantum-induced solid-solid transitions and melting in the Lennard-Jones LJ38 cluster

Comment on "Benchmarking compressed sensing, super-resolution, and filter diagonalization" (Int. J. Quantum Chem. 2016, 116, 1097)

Nuclear Quantum Effects and Thermodynamic Properties for Small (H2O)1–21X– Clusters (X– = F–, Cl–, Br–, I–)

Quantum Melting and Isotope Effects from Diffusion Monte Carlo Studies of p-H 2 Clusters

Magic numbers, quantum delocalization, and orientational disordering in anionic hydrogen and deuterium clusters

Self-consistent phonons revisited. II. A general and efficient method for computing free energies and vibrational spectra of molecules and clusters

Nuclear Quantum Effects and Thermodynamic Properties for Small (H 2 O) 1-21 X - Clusters (X - = F - , Cl - , Br - , I - )

Assessing the Performance of the Diffusion Monte Carlo Method As Applied to the Water Monomer, Dimer, and Hexamer

Self-consistent phonons revisited. I. The role of thermal versus quantum fluctuations on structural transitions in large Lennard-Jones clusters

Binding energies from diffusion Monte Carlo for the MB-pol H2O and D2O dimer: A comparison to experimental values

Low-temperature structural transitions: circumventing the broken-ergodicity problem

Comment on “New Generalization of Supersymmetric Quantum Mechanics to Arbitrary Dimensionality or Number of Distinguishable Particles”

Reconstruction of Abel-transformable images: The Gaussian basis-set expansion Abel transform method

A fast variational Gaussian wavepacket method: Size-induced structural transitions in large neon clusters

On the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: an application to water hexamer

Equilibrium properties of quantum water clusters by the variational Gaussian wavepacket method

Filter diagonalization method for processing PFG NMR data

Correction to “Comment on ‘New Generalization of Supersymmetric Quantum Mechanics to Arbitrary Dimensionality or Number of Distinguishable Particles’”

Suchergebnisse filtern