About: Ab initioinvestigation of intermolecular interactions in solid benzene

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scholarly article in Physical Review B, vol. 77 no. 9, March 2008

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) article scientifique publié en 2008 (fr) наукова стаття, опублікована в березні 2008 (uk) im März 2008 veröffentlichter wissenschaftlicher Artikel (de) scholarly article in Physical Review B, vol. 77 no. 9, March 2008 (en)
publication date	wds:Q57962455-21669C36-EBAB-4E95-9056-87EF82EA4A67
publication date	2008-03-18 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57962455-CE89A64F-5E09-4BD1-B58F-A4C629826A0B
language of work or name	English
cites work	wds:Q57962455-0668B959-936E-4EC7-A6A4-0BD42D2D75A1 wds:Q57962455-07E9BA2F-E7C3-48D9-B754-3C75CFE15278 wds:Q57962455-09739347-56E9-48F3-B593-38624951326E wds:Q57962455-3AC6BC12-C176-410B-9BAB-841F3CBA20DD wds:Q57962455-6A58B3FD-4202-4791-A210-4994FC2E5ED1 wds:Q57962455-7E4A0282-C82B-4632-BDD0-F317C7D9BD2F wds:Q57962455-966C369C-2860-4F42-B014-ADC5B50534DF wds:Q57962455-9A2BD475-16B2-4291-83BF-F3525B076A32
cites work	Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Generalized Gradient Approximation Made Simple Projector augmented-wave method The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors From ultrasoft pseudopotentials to the projector augmented-wave method Basis-set convergence in correlated calculations on Ne, N2, and H2O Molecular Photodynamics in Rare Gas Solids. Intermolecular interactions in solid benzene.
author name string	wds:Q57962455-9C0AF5EC-B3B6-4E9A-A7C8-6F65F130DA35 wds:Q57962455-DE40058A-4280-44E3-8D29-C48D69B28E4D
author name string	O. Bludský M. Rubeš
rdfs:label	Ab initioinvestigation of intermolecular interactions in solid benzene (en) Ab initioinvestigation of intermolecular interactions in solid benzene (nl)
skos:prefLabel	Ab initioinvestigation of intermolecular interactions in solid benzene (en) Ab initioinvestigation of intermolecular interactions in solid benzene (nl)
name	Ab initioinvestigation of intermolecular interactions in solid benzene (en) Ab initioinvestigation of intermolecular interactions in solid benzene (nl)
author	wds:Q57962455-144282B7-DB89-4F36-B582-DE08733167B4
author	Pavel Soldán
title	wds:Q57962455-EDDB9DF2-6E34-47AA-9BD9-B50A05A680AB
title	Ab initioinvestigation of intermolecular interactions in solid benzene (en)
instance of	wds:Q57962455-29BC5555-6A85-4AD5-91ED-4BA6B5BAFA2F
instance of	scholarly article
main subject	wds:Q57962455-7D8042AE-2B53-4D29-9CB4-E553A605D0A1
main subject	wd:Q2270
published in	wds:Q57962455-9FD691C5-FA7A-491E-A5C9-3A2CF078F1AA
published in	Physical Review B
issue	wds:Q57962455-DF566A90-E183-4974-B5BB-AA29591261FB
volume	wds:Q57962455-291C297D-43E2-46B8-B107-9213A730161C
issue	9
volume	77
DOI	wds:Q57962455-FA63E12A-8BFA-46B1-85A0-6DE34DD1ADBD
DOI	http://dx.doi.org/10.1103/PHYSREVB.77.092103
DOI	10.1103/PHYSREVB.77.092103
arXiv ID	wds:Q57962455-8CFFB803-C3A2-4242-B7E3-9F7805445F36
arXiv ID	0801.0668
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57962455
is cites work of	Small Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error Sources A benchmark for non-covalent interactions in solids Theoretical chemistry. Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy. DFT/CC investigation of physical adsorption on a graphite (0001) surface Practical quantum mechanics-based fragment methods for predicting molecular crystal properties Investigation of the benzene-naphthalene and naphthalene-naphthalene potential energy surfaces: DFT/CCSD(T) correction scheme Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions Prediction of organic molecular crystal geometries from MP2-level fragment quantum mechanical/molecular mechanical calculations. Exploiting space-group symmetry in fragment-based molecular crystal calculations. Accelerating MP2C dispersion corrections for dimers and molecular crystals. A new era for ab initio molecular crystal lattice energy prediction.
is cites work of	wds:Q26745713-23329C7F-6408-474E-9D0C-A41C4EBACE2C wds:Q46220875-846C67C1-DB25-43E2-B104-F051844C494B wds:Q43081074-C62E5D3C-D90E-4014-AEE2-9BFA30C6C9D6 wds:Q46005750-30F4D746-7C56-4950-9963-5536D7C22264 wds:Q51030833-83481637-423E-481C-8968-7E6238742F4E wds:Q33725973-3AB5FEB7-5DC3-4656-B1C7-0762AAB78AF9 wds:Q46465398-F457024B-F369-4C12-A78B-3CD8C6F5CE93 wds:Q46947913-837F616F-C34B-421D-A253-5662CA7FE3DB wds:Q46549331-DAF86C44-3105-48A9-A333-86BEE01CD91D wds:Q46549575-FABA19A6-50D7-463D-9261-9C5F5152B6C3 wds:Q51586431-A92E2941-3CD8-4D18-9344-3B352B02A489

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