Bound states of the Cl(P-2)-HCl van der waals complex from coupled ab initio potential energy surfaces

Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P) + HCl!ClH + Cl(2P) reaction

Hankel, Marlies
Connor, J. N. L.
Schatz, George C.

January 2005

We investigate the influence of van der Waals wells on the quantum scattering dynamics of the Cl + H...

An ab initio potential energy surface for the C2H2-N2 system

Thibault, Franck
Vieuxmaire, Olivier
Sizun, Thibaut
Bussery-Honvault, Beatrice

January 2012

International audienceAn ab initio potential energy surface determined at the CCSD(T) level of theor...

The interaction of oh(x2π) with h2: Ab initio potential energy surfaces and bound states

Ma, Q.
Kłos, J.
Alexander, M.H.
Avoird, A. van der
Dagdigian, P.J.

January 2014

Contains fulltext : 133240.pdf (publisher's version ) (Open Access

Bound states of the OH((2)Pi)-HCl complex on ab initio diabatic potentials

Groenenboom, G.C.
Fishchuk, A.V.
Avoird, A. van der

January 2009

Contains fulltext : 75246.pdf (publisher's version ) (Open Access)15 p

Ab initio calculation of the $CH(X\ ^{2}\Pi, A\ ^{2}\Delta , B\ ^{2}\Sigma^{+}, C\ ^{2}\Sigma^{+}) + Ne (^{1}S)$ potential energy surfaces

Schnupf, U.
Heaven, M. C.
Musaev, D. G.
Morokuma, K.

January 1994

Author Institution: Department of Chemistry, Emory UniversityWe report multireference configuration-...

Theoretical Study of the HCS⁺-H₂ van der Waals Complex: Potential Energy Surface, Rovibrational Bound States, and Rotationally Inelastic Collisional Cross Sections

Quintas-Sánchez, Ernesto
Dawes, Richard
Denis-Alpizar, Otoniel

September 2021

An accurate ground-state intermolecular potential energy surface (PES) was calculated for the HCS+ -...

Theoretical investigation of the potential energy surface of the van der Waals complex CH4-N-2

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

January 2009

International audienceThe interaction potential energy surface of the van der Waals CH4-N-2 complex ...

Ab initio computed diabatic potential energy surfaces of OH-HCl

Wormer, P.E.S.
Klos, J.
Groenenboom, G.C.
Avoird, A. van der

January 2005

Contains fulltext : 33312.pdf (publisher's version ) (Open Access

Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex

Van Der Avoird, Ad
Bondo Pedersen, Thomas
Dhont, Guillaume S. F.
Fernández, Berta
Koch, Henrik

January 2006

A four-dimensional intermolecular potential-energy surface has been calculated for the HCN-HCl compl...

Ab initio treatment of the chemical reaction precursor complex Cl(P-2)-HF. 2. Bound states and infrared spectrum

Fishchuk, A.V.
Groenenboom, G.C.
Avoird, A. van der

January 2006

Contains fulltext : 36120.pdf (publisher's version ) (Closed access)Bound energy l...

Theoretical study of open-shell van der Waals complexes

Fishchuk, A.V.

January 2008

Contains fulltext : 72451.pdf (publisher's version ) (Open Access)The present thes...

AB INITIO STUDY OF THE TRICHLORINE RADICAL, $Cl_{3}$

Kaledin, A. L.
Lawrence, W. G.
Heaven, M. C.
Cui, Q.
Stevens, Jonathan E.
Morokuma, K.

January 1997

$^{h}$A. B. Sannigrahi and Sigrid D. Peyerimhoff, Int. J. Quantum Chem. 30, 413-420(1986).Author Ins...

THEORETICAL STUDY ON THE $H_{2}$+ Cl $\rightarrow$ HCl + H POTENTIAL ENERGY SURFACE

Naleway, Conrad A.
Wagner, Albert F.
Hillier, Ian H.

January 1975

Author Institution: Argonne National Laboratory; Department of Chemistry, University of ManchesterTh...

Ab initio treatment of the chemical reaction precursor complex Cl(P-2)-HF. 1. Three-dimensional diabatic potential energy surfaces

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

January 2006

Contains fulltext : 36119.pdf (publisher's version ) (Open Access

The helium-, neon-, and argon-cyclopropane van der waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics

Pedersen, Thomas Bondo
Fern\ue1ndez, Berta
Koch, Henrik
Makarewicz, Jan

January 2001

The ab initio interaction energies of the rare gas-cyclopropane (RG-CP) complexes were evaluated. Th...

Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P) + HCl!ClH + Cl(2P) reaction

Hankel, Marlies
Connor, J. N. L.
Schatz, George C.

January 2005

We investigate the influence of van der Waals wells on the quantum scattering dynamics of the Cl + H...

An ab initio potential energy surface for the C2H2-N2 system

Thibault, Franck
Vieuxmaire, Olivier
Sizun, Thibaut
Bussery-Honvault, Beatrice

January 2012

International audienceAn ab initio potential energy surface determined at the CCSD(T) level of theor...

The interaction of oh(x2π) with h2: Ab initio potential energy surfaces and bound states

Ma, Q.
Kłos, J.
Alexander, M.H.
Avoird, A. van der
Dagdigian, P.J.

January 2014

Contains fulltext : 133240.pdf (publisher's version ) (Open Access

Bound states of the OH((2)Pi)-HCl complex on ab initio diabatic potentials

Groenenboom, G.C.
Fishchuk, A.V.
Avoird, A. van der

January 2009

Contains fulltext : 75246.pdf (publisher's version ) (Open Access)15 p

Ab initio calculation of the $CH(X\ ^{2}\Pi, A\ ^{2}\Delta , B\ ^{2}\Sigma^{+}, C\ ^{2}\Sigma^{+}) + Ne (^{1}S)$ potential energy surfaces

Schnupf, U.
Heaven, M. C.
Musaev, D. G.
Morokuma, K.

January 1994

Author Institution: Department of Chemistry, Emory UniversityWe report multireference configuration-...

Theoretical Study of the HCS⁺-H₂ van der Waals Complex: Potential Energy Surface, Rovibrational Bound States, and Rotationally Inelastic Collisional Cross Sections

Quintas-Sánchez, Ernesto
Dawes, Richard
Denis-Alpizar, Otoniel

September 2021

An accurate ground-state intermolecular potential energy surface (PES) was calculated for the HCS+ -...

Theoretical investigation of the potential energy surface of the van der Waals complex CH4-N-2

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

January 2009

International audienceThe interaction potential energy surface of the van der Waals CH4-N-2 complex ...

Ab initio computed diabatic potential energy surfaces of OH-HCl

Wormer, P.E.S.
Klos, J.
Groenenboom, G.C.
Avoird, A. van der

January 2005

Contains fulltext : 33312.pdf (publisher's version ) (Open Access

Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex

Van Der Avoird, Ad
Bondo Pedersen, Thomas
Dhont, Guillaume S. F.
Fernández, Berta
Koch, Henrik

January 2006

A four-dimensional intermolecular potential-energy surface has been calculated for the HCN-HCl compl...

Ab initio treatment of the chemical reaction precursor complex Cl(P-2)-HF. 2. Bound states and infrared spectrum

Fishchuk, A.V.
Groenenboom, G.C.
Avoird, A. van der

January 2006

Contains fulltext : 36120.pdf (publisher's version ) (Closed access)Bound energy l...

Theoretical study of open-shell van der Waals complexes

Fishchuk, A.V.

January 2008

Contains fulltext : 72451.pdf (publisher's version ) (Open Access)The present thes...

AB INITIO STUDY OF THE TRICHLORINE RADICAL, $Cl_{3}$

Kaledin, A. L.
Lawrence, W. G.
Heaven, M. C.
Cui, Q.
Stevens, Jonathan E.
Morokuma, K.

January 1997

$^{h}$A. B. Sannigrahi and Sigrid D. Peyerimhoff, Int. J. Quantum Chem. 30, 413-420(1986).Author Ins...

THEORETICAL STUDY ON THE $H_{2}$+ Cl $\rightarrow$ HCl + H POTENTIAL ENERGY SURFACE

Naleway, Conrad A.
Wagner, Albert F.
Hillier, Ian H.

January 1975

Author Institution: Argonne National Laboratory; Department of Chemistry, University of ManchesterTh...

Ab initio treatment of the chemical reaction precursor complex Cl(P-2)-HF. 1. Three-dimensional diabatic potential energy surfaces

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

January 2006

Contains fulltext : 36119.pdf (publisher's version ) (Open Access

The helium-, neon-, and argon-cyclopropane van der waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics

Pedersen, Thomas Bondo
Fern\ue1ndez, Berta
Koch, Henrik
Makarewicz, Jan

January 2001

The ab initio interaction energies of the rare gas-cyclopropane (RG-CP) complexes were evaluated. Th...

Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P) + HCl!ClH + Cl(2P) reaction

Hankel, Marlies
Connor, J. N. L.
Schatz, George C.

January 2005

We investigate the influence of van der Waals wells on the quantum scattering dynamics of the Cl + H...

An ab initio potential energy surface for the C2H2-N2 system

Thibault, Franck
Vieuxmaire, Olivier
Sizun, Thibaut
Bussery-Honvault, Beatrice

January 2012

International audienceAn ab initio potential energy surface determined at the CCSD(T) level of theor...

The interaction of oh(x2π) with h2: Ab initio potential energy surfaces and bound states

Ma, Q.
Kłos, J.
Alexander, M.H.
Avoird, A. van der
Dagdigian, P.J.

January 2014

Contains fulltext : 133240.pdf (publisher's version ) (Open Access

Bound states of the Cl(P-2)-HCl van der waals complex from coupled ab initio potential energy surfaces

Abstract

Extracted data

Bound states of the Cl(P-2)-HCl van der waals complex from coupled ab initio potential energy surfaces

Abstract

Extracted data

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