About: The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational study

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scientific article published on 01 April 2014

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у квітні 2014 (uk) im April 2014 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu n'abril de 2014 (ast) scientific article published on 01 April 2014 (en)
publication date	wds:Q57164219-4300DD11-9C65-4FE3-8FA2-B9D17F4654AE
publication date	2014-04-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57164219-4E843F53-1290-43AF-B84A-BD8C71D314C1
language of work or name	English
cites work	wds:Q57164219-250043B6-4391-477A-A7D0-A4375097AB8D wds:Q57164219-29B3AFA4-E13B-4D50-B595-8FC4D5FB8002 wds:Q57164219-2A4E060E-3F32-4BE5-B5F3-2FA5B8848438 wds:Q57164219-2E8F1FEE-EBAA-4495-95AE-B5DAD3B740EF wds:Q57164219-45F52208-94C9-42B3-B0CD-394E3A586A9A wds:Q57164219-479E64C3-1FE3-4AD3-A2B5-440FDA0D52FA wds:Q57164219-66999BC8-8B3B-4701-A839-5AB6AC9C190F wds:Q57164219-73B35596-CA2E-440B-A2A0-F12DFC21EABA wds:Q57164219-77CB2482-437C-4454-9614-3CA634E11FF5 wds:Q57164219-78B9ABCE-7DF8-4158-898C-66243DE21826 wds:Q57164219-7D3043E4-60E6-4F76-917D-62DBF6EEDE60 wds:Q57164219-8DF5FEEB-78ED-42CC-8F6C-80FEF69AD4AD wds:Q57164219-9071039E-9CCF-4C23-9AF4-951D43094BDC wds:Q57164219-91717B65-A226-4EA9-AD63-85B41492CB8D wds:Q57164219-9E946E5A-2145-4E37-B4AE-E5A103DE70B6 wds:Q57164219-A95321D9-A05B-4C48-BFBD-B5322311C104 wds:Q57164219-AA2FBD09-FDF5-4D5B-96A0-8CFD8B83CED8 wds:Q57164219-AE6B5E46-70E0-4256-88F8-DB2461E004BC wds:Q57164219-C10D9EBE-85A1-4DBC-B415-A52622F7B598 wds:Q57164219-C8595622-CA15-41FB-943F-81F32B181485 wds:Q57164219-D5D7D2FA-0FBF-47A6-B090-17247729570C wds:Q57164219-D862F1D0-B6A6-46AA-A10E-0ADF95FF5573 wds:Q57164219-EF796E1D-E6A0-4AE0-96AD-3F022A75EB91 wds:Q57164219-F3B70897-2968-4CDE-8F56-464C1F92235D
cites work	Density-functional thermochemistry. III. The role of exact exchange Vaterite crystals contain two interspersed crystal structures The Multiple Structures of Vaterite Evaluation of range-separated hybrid density functionals for the prediction of vibrational frequencies, infrared intensities, and Raman activities Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation Calcium carbonate in biomineralisation and biomimetic chemistry The Convergence of a Class of Double-rank Minimization Algorithms 1. General Considerations A new approach to variable metric algorithms A family of variable-metric methods derived by variational means Conditioning of quasi-Newton methods for function minimization The vibrational spectrum of CaCO3 aragonite: a combined experimental and quantum-mechanical investigation Quantitative analysis of synthetic calcium carbonate polymorphs using FT-IR spectroscopy Ab initio analytical infrared intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method. Quantitative determination of binary and tertiary calcium carbonate mixtures using powder X-ray diffraction Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory. Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. II. Validation and comparison with experiments Examining the Accuracy of Density Functional Theory for Predicting the Thermodynamics of Water Incorporation into Minerals: The Hydrates of Calcium Carbonate Electronic structure, dielectric properties and infrared vibrational spectrum of fayalite: An ab initio simulation with an all-electron Gaussian basis set and the B3LYP functional Vibrational spectrum of katoite Ca3Al2[(OH)4]3: a periodic ab initio study. Ab initio simulation of the IR spectra of pyrope, grossular, and andradite The IR vibrational properties of six members of the garnet family: A quantum mechanical ab initio study A new structural model for disorder in vaterite from first-principles calculations On the structure of aragonite
author name string	wds:Q57164219-08960FAA-D950-4562-A5A2-1F212880FCE7 wds:Q57164219-2A10A1CF-699D-4EA1-9DED-74547DB890CF wds:Q57164219-A8EFA89C-5AA0-45E3-9E91-560BAF75EEB9
author name string	Marco De La Pierre Roberto Dovesi Roberto Orlando
rdfs:label	The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational study (en) The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational study (nl)
skos:prefLabel	The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational study (en) The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational study (nl)
name	The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational study (en) The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational study (nl)
author	wds:Q57164219-0AC6DFA4-F90C-4721-9379-1C654AC8E2C2 wds:Q57164219-8D989531-0CB2-4916-81D6-B03AA126DA28 wds:Q57164219-D5B54A85-402D-436D-A277-E9F80B95AE2B
author	Lorenzo Maschio Erwan André Cédric Carteret
title	wds:Q57164219-DA1FA430-AD8A-4930-B8FE-530BC5B3FB82
title	The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational study (en)
page(s)	wds:Q57164219-1021B8C4-0B22-4537-9E7D-9176E8FEA3FC
page(s)	164509
instance of	wds:Q57164219-7481901B-9CA9-4EC9-8E5F-66E9F1ACCC00
instance of	scholarly article
PubMed ID	wds:Q57164219-E04A9F5C-F01E-4F44-9AB7-6E37C75497AE
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/24784289
PubMed ID	24784289
published in	wds:Q57164219-13AEFAC6-5A49-4D0D-A270-1B32B4A26B2F
published in	Journal of Chemical Physics
issue	wds:Q57164219-96E9206C-486E-4A26-970A-C49A360865B6
volume	wds:Q57164219-4BD648B2-84B8-4317-B138-67C168CCEBA0
issue	16
volume	140
DOI	wds:Q57164219-91F4E4FA-3981-41D7-825A-1416166F0E87
DOI	http://dx.doi.org/10.1063/1.4871900
DOI	10.1063/1.4871900
skos:altLabel	The Raman spectrum of CaCO3 polymorphs calcite and aragonite: A combined experimental and computational study (en) The Raman spectrum of CaCO3 polymorphs calcite and aragonite: A combined experimental and computational study (nl)
is owl:sameAs of	The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational study
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57164219
is cites work of	Electric Field-Controlled Crystallizing CaCO3 Nanostructures from Solution Minerals in the pre-settled coral Stylophora pistillata crystallize via protein and ion changes.

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