High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality (Q44988774)

8 December 2017

title

High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality (English)

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8 December 2017

Seiji Tsuzuki

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8 December 2017

Kazumasa Honda

series ordinal

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8 December 2017

Tadafumi Uchimaru

series ordinal

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8 December 2017

Masuhiro Mikami

series ordinal

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8 December 2017

language of work or name

English

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publication date

1 January 2004

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Journal of Chemical Physics

8 December 2017

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inferred from page(s)

published in

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8 December 2017

volume

120

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8 December 2017

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8 December 2017

page(s)

647-659

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Low-voltage organic transistors on plastic comprising high-dielectric constant gate insulators

8 December 2017

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Expanded sequence dependence of thermodynamic parameters improves prediction of RNA secondary structure

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Thermodynamic parameters for DNA sequences with dangling ends

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Note on an Approximation Treatment for Many-Electron Systems

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MP2 energy evaluation by direct methods

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Origin of attraction and directionality of the pi/pi interaction: model chemistry calculations of benzene dimer interaction

21 January 2018

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21 January 2018

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Toward true DNA base-stacking energies: MP2, CCSD(T), and complete basis set calculations

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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Molecular and Atomic Polarizabilities: Thole's Model Revisited

21 January 2018

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Weak intrinsic charge transfer complexes: A new route for developing wide spectrum organic photovoltaic cells

21 January 2018

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Potential Energy Surface for the Benzene Dimer. Results ofab InitioCCSD(T) Calculations Show Two Nearly Isoenergetic Structures: T-Shaped and Parallel-Displaced

21 January 2018

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

21 January 2018

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MP2 and CCSD(T) study on hydrogen bonding, aromatic stacking and nonaromatic stacking

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Conducting charge-transfer salts based on neutral π-radicals

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Organic Superconductors--New Benchmarks

21 January 2018

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Quantum dot in the Kondo regime coupled to superconductors

21 January 2018

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Multiple functionality in nanotube transistors

21 January 2018

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An ab initio study of the low energy structures of the naphthalene dimer

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.1630953

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release_qr3dqdcr2rbu3dlwv5mqglueua

8 December 2017

Fatcat ID

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Fatcat

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24 November 2022

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