Ab initio studies of long range interactions between ethylene molecules in the multipole expansion

GAUSSIAN MULTIPOLES IN PRACTICE - ELECTROSTATIC ENERGIES FOR INTERMOLECULAR POTENTIALS

WHEATLEY, R J
Mitchell, John Blayney Owen

November 1994

A method is presented for calculating the total electrostatic interaction energies between molecules...

First-principles calculations of long-range intermolecular dispersion forces

Jiemchooroj, Auayporn

January 2006

This work presents first-principles calculations of long-range intermolecular dispersion energies be...

Ab initio electronic structure calculations of correlated systems: An EMTO-DMFT approach

Chioncel, L.
Vitos, L.
Abrikosov, I.A.
Kollar, J.
Katsnelson, M.I.
Lichtenstein, A.I.

January 2003

Contains fulltext : 168537.pdf (publisher's version ) (Open Access

Ab initio calculations of molecular multipoles, polarizabilities and Van der Waals interactions

Mulder, F.

January 1978

Contains fulltext : mmubn000001_025233181.pdf (publisher's version ) (Open Access)...

Note on ab initio valence bond calculations of the Van der Waals interactions between two ethylene molecules

Wormer, P.E.S.
Avoird, A. van der

January 1975

Contains fulltext : 7040.pdf (publisher's version ) (Open Access

Lattice dynamics of the ethylene crystal with interaction potentials from ab initio calculations

Wasiutynski, T.
Avoird, A. van der
Berns, R.M.

January 1978

Contains fulltext : 7028.pdf (publisher's version ) (Open Access

Ab initio studies of the interactions in Van der Waals molecules

Avoird, A. van der
Wormer, P.E.S.
Mulder, F.
Berns, R.M.

January 1980

Contains fulltext : 7019.pdf (publisher's version ) (Open Access

Theoretical investigation of the ethylene dimer: Interaction energy and dipole moment

Kalugina, Yulia N.
Cherepanov, Victor N.
Buldakov, Mikhail A.
Zvereva-Loete, Natalia
Boudon, Vincent

January 2012

International audienceThe interaction potential energy and the interaction-induced dipole moment sur...

Ab initio valence-bond calculations of the Van der Waals interactions between pi systems : the ethylene dimer

Wormer, P.E.S.
Avoird, A. van der

January 1975

Contains fulltext : 7041.pdf (publisher's version ) (Open Access

The dimer interaction and lattice energy of ethylene and pyrazine in the multipole expansion; a comparison with atom-atom potentials

Mulder, Fred
Huiszoon, C.

November 1977

The long-range interactions between ethylene (C2H4) and between pyrazine (C4N2H4) molecules have bee...

A FRAGMENT MULTIPOLE APPROACH TO LONG-RANGE COULOMB INTERACTIONS IN HARTREE-FOCK CALCULATIONS ON LARGE SYSTEMS

Panas, Itai
Alml\uf6f, Jan

January 1992

An efficient ab initio method for electronic structure calculations on extended molecular systems is...

Ab initio calculation of the Heisenberg exchange interaction between O2 molecules

Hemert, M.C. van
Wormer, P.E.S.
Avoird, A. van der

January 1983

Contains fulltext : 7000.pdf (publisher's version ) (Open Access

Novel intermolecular C-H pi interactions: An ab initio and density functional theory study

Fan, MF
Lin, ZY
McGrady, JE
Mingos, DMP

January 1996

The recent characterisation of short contacts between chloroform solvate molecules and the C-C tripl...

An ab Initio Study of Intermolecular Long-Range Interactions for Coinage Metal Dimers

Korpinen, Markus

January 2014

Intermolecular long-range interactions play an important role in several areas of modern research. I...

Synopsis

M. A. J. Michels
Instituut Voor Theoretische Fysica

January 1972

The long-range asymptotic expression for the multipole expansion of the retarded interatomic dispers...

GAUSSIAN MULTIPOLES IN PRACTICE - ELECTROSTATIC ENERGIES FOR INTERMOLECULAR POTENTIALS

WHEATLEY, R J
Mitchell, John Blayney Owen

November 1994

A method is presented for calculating the total electrostatic interaction energies between molecules...

First-principles calculations of long-range intermolecular dispersion forces

Jiemchooroj, Auayporn

January 2006

This work presents first-principles calculations of long-range intermolecular dispersion energies be...

Ab initio electronic structure calculations of correlated systems: An EMTO-DMFT approach

Chioncel, L.
Vitos, L.
Abrikosov, I.A.
Kollar, J.
Katsnelson, M.I.
Lichtenstein, A.I.

January 2003

Contains fulltext : 168537.pdf (publisher's version ) (Open Access

Ab initio calculations of molecular multipoles, polarizabilities and Van der Waals interactions

Mulder, F.

January 1978

Contains fulltext : mmubn000001_025233181.pdf (publisher's version ) (Open Access)...

Note on ab initio valence bond calculations of the Van der Waals interactions between two ethylene molecules

Wormer, P.E.S.
Avoird, A. van der

January 1975

Contains fulltext : 7040.pdf (publisher's version ) (Open Access

Lattice dynamics of the ethylene crystal with interaction potentials from ab initio calculations

Wasiutynski, T.
Avoird, A. van der
Berns, R.M.

January 1978

Contains fulltext : 7028.pdf (publisher's version ) (Open Access

Ab initio studies of the interactions in Van der Waals molecules

Avoird, A. van der
Wormer, P.E.S.
Mulder, F.
Berns, R.M.

January 1980

Contains fulltext : 7019.pdf (publisher's version ) (Open Access

Theoretical investigation of the ethylene dimer: Interaction energy and dipole moment

Kalugina, Yulia N.
Cherepanov, Victor N.
Buldakov, Mikhail A.
Zvereva-Loete, Natalia
Boudon, Vincent

January 2012

International audienceThe interaction potential energy and the interaction-induced dipole moment sur...

Ab initio valence-bond calculations of the Van der Waals interactions between pi systems : the ethylene dimer

Wormer, P.E.S.
Avoird, A. van der

January 1975

Contains fulltext : 7041.pdf (publisher's version ) (Open Access

The dimer interaction and lattice energy of ethylene and pyrazine in the multipole expansion; a comparison with atom-atom potentials

Mulder, Fred
Huiszoon, C.

November 1977

The long-range interactions between ethylene (C2H4) and between pyrazine (C4N2H4) molecules have bee...

A FRAGMENT MULTIPOLE APPROACH TO LONG-RANGE COULOMB INTERACTIONS IN HARTREE-FOCK CALCULATIONS ON LARGE SYSTEMS

Panas, Itai
Alml\uf6f, Jan

January 1992

An efficient ab initio method for electronic structure calculations on extended molecular systems is...

Ab initio calculation of the Heisenberg exchange interaction between O2 molecules

Hemert, M.C. van
Wormer, P.E.S.
Avoird, A. van der

January 1983

Contains fulltext : 7000.pdf (publisher's version ) (Open Access

Novel intermolecular C-H pi interactions: An ab initio and density functional theory study

Fan, MF
Lin, ZY
McGrady, JE
Mingos, DMP

January 1996

The recent characterisation of short contacts between chloroform solvate molecules and the C-C tripl...

An ab Initio Study of Intermolecular Long-Range Interactions for Coinage Metal Dimers

Korpinen, Markus

January 2014

Intermolecular long-range interactions play an important role in several areas of modern research. I...

Synopsis

M. A. J. Michels
Instituut Voor Theoretische Fysica

January 1972

The long-range asymptotic expression for the multipole expansion of the retarded interatomic dispers...

GAUSSIAN MULTIPOLES IN PRACTICE - ELECTROSTATIC ENERGIES FOR INTERMOLECULAR POTENTIALS

WHEATLEY, R J
Mitchell, John Blayney Owen

November 1994

A method is presented for calculating the total electrostatic interaction energies between molecules...

First-principles calculations of long-range intermolecular dispersion forces

Jiemchooroj, Auayporn

January 2006

This work presents first-principles calculations of long-range intermolecular dispersion energies be...

Ab initio electronic structure calculations of correlated systems: An EMTO-DMFT approach

Chioncel, L.
Vitos, L.
Abrikosov, I.A.
Kollar, J.
Katsnelson, M.I.
Lichtenstein, A.I.

January 2003

Contains fulltext : 168537.pdf (publisher's version ) (Open Access

Ab initio studies of long range interactions between ethylene molecules in the multipole expansion

Abstract

Extracted data

Ab initio studies of long range interactions between ethylene molecules in the multipole expansion

Abstract

Extracted data

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