About: Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study

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

About: Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study Goto Sponge NotDistinct Permalink

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

article by Pavel Hobza et al published April 1994 in Journal of the American Chemical Society

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у квітні 1994 (uk) article scientifique publié en 1994 (fr) im April 1994 veröffentlichter wissenschaftlicher Artikel (de) article by Pavel Hobza et al published April 1994 in Journal of the American Chemical Society (en)
publication date	wds:Q58445999-457106F8-2E06-4290-AC39-DBFA54DDE884
publication date	1994-04-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58445999-1A8189B0-3D44-4D47-BA0A-2DF46DBB1BCC
language of work or name	English
author name string	wds:Q58445999-2871833E-202C-463F-9639-D08B4C55260D wds:Q58445999-84E74140-24F7-4A74-A6B3-2C423EA43C95
author name string	Edward W. Schlag Heinrich L. Selzle
rdfs:label	Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study (en) Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study (nl)
skos:prefLabel	Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study (en) Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study (nl)
name	Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study (en) Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study (nl)
author	wds:Q58445999-99B0ADE1-259D-4307-97D4-91B41260FA7A
author	Pavel Hobza
title	wds:Q58445999-24C30380-8C45-44E8-8880-0D9E2FCB3BA1
title	Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study (en)
page(s)	wds:Q58445999-3B93247A-800C-4BC0-A72F-477263341FFB
page(s)	3500-3506
instance of	wds:Q58445999-B6906CFE-FD4B-4204-A5B1-7BCBA81FFB83
instance of	scholarly article
main subject	wds:Q58445999-C78F9BB8-CC96-416E-A9F9-52CC6CE26E1F wds:Q58445999-EA69A55F-9CEB-4442-A26F-6450BB48D41A
main subject	potential energy wd:Q2270
published in	wds:Q58445999-D456D60C-B290-4AB2-A4BF-84DFFFBC9E8B
published in	Journal of the American Chemical Society
issue	wds:Q58445999-1F84DD9A-794B-481F-8FD9-FD02B4E16A41
volume	wds:Q58445999-9BDDF0CA-2212-4926-9826-A7F203F9CB86
issue	8
volume	116
number of pages	wds:Q58445999-94ED9103-B9C0-4F22-ADD7-2EC62020DC45
number of pages	7 (xsd:decimal)
DOI	wds:Q58445999-0877809E-D205-4FE9-884D-FF32C22FFC46
DOI	http://dx.doi.org/10.1021/JA00087A041
DOI	10.1021/JA00087A041
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58445999
is cites work of	Through-space interactions between face-to-face, center-to-edge oriented arenes: importance of polar-pi effects. Chapter 10 The Effective Fragment Potential: A General Method for Predicting Intermolecular Interactions CH/pi Attraction: The Origin of Enantioselectivity in Transfer Hydrogenation of Aromatic Carbonyl Compounds Catalyzed by Chiral eta(6)-Arene-Ruthenium(II) Complexes This work was financially supported by a Grant-in-Aid for Scientific Research (No. 0 IR/UV and UV/UV double-resonance study of guaiacol and eugenol dimers. Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction Theoretical study on the complexes of benzene with isoelectronic nitrogen-containing heterocycles p-benzoquinone-benzene clusters as potential nanomechanical devices: a theoretical study Size-Matched Radical Multivalency High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality Helical aromatic urea and guanidine Thole's interacting polarizability model in computational chemistry practice The synthesis and characterisation of novel ferrocenyl polyphenylenes. Supramolecular Motifs: Concerted Multiple Phenyl Embraces between Ph4 P+ Cations Are Attractive and Ubiquitous. A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimer The inter-ring sigma/(pi/pi) covalent interactions of cyclodimes of benzenes Hydrogen bonding and stacking of DNA bases: a review of quantum-chemical ab initio studies. Orientational preference of long, multicenter bonds in radical anion dimers: a case study of π-[TCNB]2 (2-) and π-[TCNP]2 (2.). Crystal Engineering of a Liquid Crystalline Piperazinedione, Insight into the structural role of carotenoids in the photosystem I: a quantum chemical analysis Do N-heterocyclic aromatic rings prefer π-stacking? Interaction energy surfaces of small hydrocarbon molecules Ab initio potential energy surfaces of the propane dimer Calculation of the absorption spectrum of benzene in condensed phase. A study of the solvent effects MP2 and CCSD(T) study on hydrogen bonding, aromatic stacking and nonaromatic stacking DRF90: a polarizable force field How important are dispersion interactions to the strength of aromatic stacking interactions in solution? Theoretical study on mesogenic core structures of nematic liquid crystalline compounds Discovering the stacking landscape of a pyridine-pyridine system. van der Waals interactions of polycyclic aromatic hydrocarbon dimers Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions. Rhenium(I) Complexes with Alkynylphosphane Ligands: Structural, Photophysical, and Theoretical Studies Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions A π-stacked phenylacetylene dimer Stacking and hydrogen bond interactions between adenine and gallic acid. Structure and electronic properties of a benzene-water solution. Supramolecular assemblies of dimolybdenum transoids built by Mo2-enhanced perfluorophenyl-perfluorophenyl synthons Synthesis and solvent vapor-induced transformations of crystals of 1D coordination polymers assembled with continuous void space
is cites work of	wds:Q38974198-B0EBD092-E223-414A-BE8D-6377557C9A7E wds:Q46090177-B7C24F51-747E-43C9-8666-82DBABE9E54F wds:Q51821100-524B6D46-EC83-4684-8408-3D39656EAFBF wds:Q59609362-144FC9E9-62F5-4AF5-9643-C92C98EB670B wds:Q57942422-34086E5D-519A-44F6-B574-91940EF910BC wds:Q57942426-8F77504F-37FC-43E7-82BB-ABA8CDE648AA wds:Q56880748-42E9CA2D-B2B4-41E3-90C6-EE73B114D9C1 wds:Q79940772-C29E9A69-8E48-4332-A34F-A03A5778BF02 wds:Q44983826-369DE067-7928-4A76-8E52-67B496015CF2 wds:Q43709280-6D4721F1-D78E-493D-8984-34A65A7478E6 wds:Q49604019-F9AECD5A-989D-4036-BAAB-AD2F7B0C4DDD wds:Q63431574-9B786B84-9745-412C-AAA2-3B4CBE87189E wds:Q46451513-059A1AC7-CD16-49D7-A81F-C6A82E7F2022 wds:Q38620756-EA5249B1-326D-4E89-A828-11C3A1F51204 wds:Q54705232-E3533E57-11CF-4FAD-AF4E-CDBC12C4FA95 wds:Q41172769-79A88DA5-843B-45B6-B9F1-58889BAD0034 wds:Q47128569-FCADFBF1-ACFD-447D-9B24-6C73EE71F1C8 wds:Q44988774-6872B5ED-585E-4C21-93E7-1D837DC7C0D1

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 © 2009-2025 OpenLink Software