About: The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) article scientifique publié en 2005 (fr) im Jahr 2005 veröffentlichter wissenschaftlicher Artikel (de) наукова стаття, опублікована у 2005 (uk) ശാസ്ത്ര പ്രബന്ധം (2005 ജനുവരിയില്‍ പ്രസിദ്ധീകരിച്ചത്) (ml)
publication date	wds:Q59613710-7ACA0B4B-CFE0-4F03-BB28-9C4FCF38410B
publication date	2005-01-01 00:00:00Z (xsd:dateTime)
cites work	wds:Q59613710-0DCCA2D7-6F21-4765-9D1A-2498136E2BFA wds:Q59613710-3A623836-DEF3-45C2-9938-1F0A9AB91641 wds:Q59613710-43C82F61-878E-46E9-AEEC-40225829FD92 wds:Q59613710-5ACFC3A5-570E-4C62-8194-6EE1733FF9C6 wds:Q59613710-5D35CBAD-F628-467F-B4AD-72D5E84A331F wds:Q59613710-6376668B-4ED6-4F9F-A486-BCE5404D9FB5 wds:Q59613710-668117EB-906A-43B9-B564-0D06BD71FAD5 wds:Q59613710-84E21778-CA69-46F5-B993-55D26B3BC6CD wds:Q59613710-8B4FF1AD-36ED-4FFB-942C-A576A1640B86 wds:Q59613710-8B94BF95-1718-4B9F-BDAE-74699B7C76FD wds:Q59613710-9D91D48D-9EA4-4FF3-B44F-BDC6D859B26B wds:Q59613710-C8F3AAEE-331E-46A9-BD46-6582A39FF356 wds:Q59613710-CDB1FDFF-7401-439F-A68F-1F3B809B821A wds:Q59613710-E186FE65-EFE9-4F71-A321-4EE36C8B9F3E wds:Q59613710-E6A9E109-A47A-4E4A-81EB-D7F964FF7B73 wds:Q59613710-E7803FB1-717E-4025-A083-EE438EF657E0 wds:Q59613710-FE936D98-179F-4501-83DD-D3C94A024CF4
cites work	Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Anharmonic force fields from analytic CCSD(T) second derivatives: HOF and F2O Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions Linear and nonlinear response functions for an exact state and for an MCSCF state The anharmonic force fields of HOF and F2O A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water molecule A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach Coriolis interaction and anharmonic potential function of ozone from the microwave spectra in the excited vibrational states An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules Calculation of the vibrational wave function of polyatomic molecules The magnetizability, rotational g tensor, and quadrupole moment of PF3 revisited Vibrationally averaged magnetizabilities and rotational g tensors of the water molecule The effect of correlation on molecular magnetizabilities and rotational g tensors The magnetizability anisotropy and rotational g factor of deuterium hydride and the deuterium molecule Magnetizabilities and Nuclear Shielding Constants of the Fluoromethanes in the Gas Phase and Solution Perturbation‐dependent atomic orbitals for the calculation of spin‐rotation constants and rotational g tensors Accurate calculations of the dynamic dipole polarizability of N2. A multiconfigurational linear response study using restricted active space (RAS) wavefunctions
author name string	wds:Q59613710-16C50B2D-5D3A-471C-A105-3A4734A58546 wds:Q59613710-BC18BF35-E54E-4F9A-9527-BB639E303685 wds:Q59613710-DA927AEF-ECC0-4482-B695-5E9CB20B4F69
author name string	Chris E. Mohn David J.D. Wilson Ola B. Lutnæs
rdfs:label	The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations (en) The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations (nl)
skos:prefLabel	The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations (en) The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations (nl)
name	The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations (en) The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations (nl)
author	wds:Q59613710-227B045A-56ED-42F5-845B-84E25E4BEE39 wds:Q59613710-928DD311-5679-4C3B-8D0A-E3BFB0D7D6A6
author	Kenneth Ruud Trygve Ulf Helgaker
title	wds:Q59613710-534E425A-489F-46C8-9B83-E661534C9B78
title	The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations (en)
page(s)	wds:Q59613710-5AF523D5-90A3-4BA3-B62A-789A4EF178E0
page(s)	77-90
instance of	wds:Q59613710-008B3CDC-7990-4747-B70B-8D9CF12D4722
instance of	scholarly article
published in	wds:Q59613710-78FAB990-D0E3-48FC-994A-B4B3A73A1A00
published in	Advances in Quantum Chemistry
DOI	wds:Q59613710-6BB2CEE8-AFE4-4A78-B6AB-AA550406D1E6
DOI	http://dx.doi.org/10.1016/S0065-3276(05)50005-4
DOI	10.1016/S0065-3276(05)50005-4
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q59613710

Faceted Search & Find service v1.16.117 as of May 05 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3239 as of May 5 2024, on Linux (x86_64-centos_6-linux-gnu), Single-Server Edition (378 GB total memory, 180 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software