A benchmark comparison of σ/σ and π/π dispersion: the dimers of naphthalene and decalin, and coronene and perhydrocoronene.

A benchmark comparison of σ/σ and π/π dispersion: the dimers of naphthalene and decalin, and coronene and perhydrocoronene.

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http://www.wikidata.org/entity/Q36369436
The accuracy of quantum chemical methods for large noncovalent complexes.SparseMaps-A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals.London dispersion in molecular chemistry--reconsidering steric effects.Conformational behavior and stacking interactions of contorted polycyclic aromatics.Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties.Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes.Compressed representation of dispersion interactions and long-range electronic correlations.Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies.Van Der Waals heterogeneous layer-layer carbon nanostructures involving π···H-C-C-H···π···H-C-C-H stacking based on graphene and graphane sheets.Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.Herringbone Pattern and CH-π Bonding in the Crystal Architecture of Linear Polycyclic Aromatic Hydrocarbons.Noncovalent π⋅⋅⋅π interaction between graphene and aromatic molecule: structure, energy, and nature.The silane-methane dimer revisited: more than a dispersion-bound system?MP2, DFT and DFT-D study of the dimers of diazanaphthalenes: a comparative study of their structures, stabilisation and binding energies
P2860

A benchmark comparison of σ/σ and π/π dispersion: the dimers of naphthalene and decalin, and coronene and perhydrocoronene.

Item
http://www.wikidata.org/entity/Q36369436
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
@yue
2012年學術文章
@zh
2012年學術文章
@zh-hant
name
A benchmark comparison of σ/σ ...... coronene and perhydrocoronene.
@ast
A benchmark comparison of σ/σ ...... coronene and perhydrocoronene.
@en
type
label
A benchmark comparison of σ/σ ...... coronene and perhydrocoronene.
@ast
A benchmark comparison of σ/σ ...... coronene and perhydrocoronene.
@en
prefLabel
A benchmark comparison of σ/σ ...... coronene and perhydrocoronene.
@ast
A benchmark comparison of σ/σ ...... coronene and perhydrocoronene.
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P5875
P698
P932
P356
P1433
P1476
A benchmark comparison of σ/σ ...... coronene and perhydrocoronene.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P5875
P698
P932