Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: An assessment of electron correlation contributions (Q57771426)

From Wikidata

Jump to navigation Jump to search

article

Language	Label	Description	Also known as
English	Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: An assessment of electron correlation contributions	article

Statements

scholarly article

0 references

Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: An assessment of electron correlation contributions (English)

0 references

Denis Jacquemin

object named as

Denis Jacquemin

1

0 references

author name string

Jean-Marie André

2

0 references

Eric A. Perpète

3

0 references

language of work or name

0 references

publication date

September 2004

0 references

Journal of Chemical Physics

0 references

121

0 references

9

0 references

4389-4396

0 references

An accurate density functional method for the study of magnetic properties: the PBE0 model

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Accuracy of geometries: influence of basis set, exchange?correlation potential, inclusion of core electrons, and relativistic corrections

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems†

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Møller–Plesset evaluation of the static first hyperpolarizability of polymethineimine

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Generalized Gradient Approximation Made Simple

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Ab initio band structure of polymethineimine isomers

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Ab InitioCoupled Hartree−Fock Investigation of the Static First Hyperpolarizability of Modelall-trans-Polymethineimine Oligomers of Increasing Size

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Ab initio static polarizability and first hyperpolarizability of model polymethineimine chains. II. Effects of conformation and of substitution by donor/acceptor end groups

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Second-Order ab Initio Møller−Plesset Study of Optimum Chain Length for Total (Electronic Plus Vibrational) β(−ωσ;ω1,ω2) of a Prototype Push-Pull Polyene

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Electronic and vibrational first hyperpolarizabilities of polymethineimine oligomers

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

First hyperpolarizability of H–(BN)N–H oligomers: analysis of geometry, asymmetry and delocalization effectsElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b108044j/

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Theoretical Study of Dehydrogenation Effects upon the First Hyperpolarizability of Polyphosphinoborane

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Second-order nonlinear optical coefficient of polyphosphazene-based materials: A theoretical study

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Theoretical study of the longitudinal first hyperpolarizability of polysilaacetylene

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Analysis of the sign reversal of the second-order molecular polarizability in polymethineimine chains

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Ab initio determination of the vibrational and electronic first hyperpolarizabilities of reference compounds for non-linear optical (NLO) applications 3-Methyl 4-nitropyridine 1-oxide (POM) and N-(4-nitrophenyl)-(L)-prolinol (NPP)

1 reference

https://api.crossref.org/works/10.1063%2F1.1775181

21 January 2018

Identifiers

10.1063/1.1775181

0 references

PubMed publication ID

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q57771426&oldid=1779053502"