Ab initio calculations on SnCl₂and Franck-Condon factor simulations of its ã-X˜ and B˜-X˜ absorption and single-vibronic-level emission spectra

Franck-Condon simulation of the photoelectron spectrum of AsCl(2) and the photodetachment spectrum of AsCl?2- employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl(2)

Mok, Daniel K.W.
Lee, Edmond P.F.
CHAU, Foo-Tim
Dyke, John M.

June 2011

The currently most reliable theoretical estimates of the adiabatic ionization energies (AIE0) from t...

Franck-Condon simulation of the single-vibronic-level emission spectra of HPCI/DPCl and the chemiluminescence spectrum of HPCI, including anharmonicity

Chau, Foo-tim
Mok, Daniel K.W.
Lee, Edmond P.F.
Dyke, John M.

July 2004

Restricted-spin coupled-cluster single-double plus perturbative triple excitation [RCCSD(T)] potenti...

The SN2 reaction and its relationship with the Walden inversion, the Finkelstein and Menshutkin reactions together with theoretical calculations for the Finkelstein reaction

Alkorta, Ibon
Elguero, José

November 2021

This communication gives an overview of the relationships between four reactions that although relat...

Ab initio calculations on the X˜¹A' and Ã¹A" states of HPO and Franck-Condon simulation of the single vibronic level emission spectra of HPO and DPO

Lee, EPF
Mok, DKW
Chau, FT
Dyke, JM

December 2014

2007-2008 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Ab initio calculations on low-lying electronic states of SbO₂‾ and Franck-Condon simulation of its photodetachment spectrum

Lee, EPF
Dyke, JM
Mok, DKW
Chau, FT
Chow, WK

December 2014

2007-2008 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Franck-Condon simulation of the single-vibronic-level emission spectra of HPCI/DPCI and the chemiluminescence spectrum of HPCI, including anharmonicity

Chau, FT
Mok, DKW
Lee, EPF
Dyke, JM

December 2014

2004-2005 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Franck-Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity

Mok, DKW
Lee, EPF
Chau, FT
Dyke, JM

December 2014

2003-2004 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Ab initio calculations on SCl₂ and low-lying cationic states of SCl₂⁺ : Franck-Condon simulation of the UV photoelectron spectrum of SCl₂

Mok, DKW
Chau, FT
Lee, EPF
Dyke, JM

December 2014

Author name used in this publication: F. T. Chau2006-2007 > Academic research: refereed > Publicatio...

Franck-Condon simulation, including anharmonicity, of the photodetachment spectrum of P₂H‾ : restricted-spin coupled-cluster single-double plus perturbative triple and unrestricted-spin coupled-cluster single-double plus perturbative triple -F12x potential energy functions of P₂H and P₂H‾

Mok, DKW
Lee, EPF
Chau, FT
Dyke, JM

December 2014

2011-2012 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

ALGEBRAIC APPROACH FOR THE CALCULATION OF POLYATOMIC FRANCK-CONDON FACTORS: APPLICATION TO THE VIBRONICALLY-RESOLVED EMISSION SPECTRUM OF $S_{2}O$

Müller, Thomas
Dupré, Patrick
Vaccaro, P. H.
Pérez-Bernal, F.
Iachello, F.

January 1998

$^{a}$ Permanent address: High Magnetic Field Laboratory, CNRS, BP 166, 38042 Grenoble, Cedex 9 (Fra...

Response to “Comment on ‘Atomization energies and enthalpies of formation of the SnBi[sub n] (n=1–3) gaseous molecules by Knudsen cell mass spectrometry’ ” [J. Chem. Phys. 118, 4766 (2003)]

Meloni, Giovanni
Gingerich, Karl A

January 2003

Discusses atomization energies and enthalpies of formation of gaseous molecules of compounds contain...

AB INITIO CALCULATIONS OF VIBRATIONAL LEVELS AND FRANCK-CONDON FACTORS FOR LASER-COOLABLE MOLECULES

Zhang, Chaoqun

Vibrational energy levels and Franck-Condon factors (FCFs) of laser-coolable molecules has attracted...

Franck-condon simulations including anharmonicity of the a-x and SVL emission of HSiCl and DSiCl

Mok, Daniel W. K.
Lee, Edmond P. F.
Chau, Foo-Tim
Dyke, John M.

January 2009

RCCSD(T) and/or CASSCF/MRCI calculations have been carried out on the 1A? and 1A?? states of HSiCl e...

Mass Spectrometric and Computational Study of SnPb in the Gas Phase

Gigli, G
Meloni, Giovanni
Carrozzino, M

January 2005

The SnPb molecule has been identified in a Knudsen effusion mass spectrometry experiment. The direct...

THE FRANCK-CONDON PRINCIPLE AND THE 3600$^{\circ}$ SYSTEM OF $CIO_{2}{^{*}}$

Coon, J. B.
DeWames, R. E.
Lovd, C. M.
Cesani, F. A.

January 1961

$^{*}$Supported by the Air Force Office Of Scientific Research. $^{1}$J. B. Coon, R. E. DeWames, C. ...

Franck-Condon simulation of the photoelectron spectrum of AsCl(2) and the photodetachment spectrum of AsCl?2- employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl(2)

Mok, Daniel K.W.
Lee, Edmond P.F.
CHAU, Foo-Tim
Dyke, John M.

June 2011

The currently most reliable theoretical estimates of the adiabatic ionization energies (AIE0) from t...

Franck-Condon simulation of the single-vibronic-level emission spectra of HPCI/DPCl and the chemiluminescence spectrum of HPCI, including anharmonicity

Chau, Foo-tim
Mok, Daniel K.W.
Lee, Edmond P.F.
Dyke, John M.

July 2004

Restricted-spin coupled-cluster single-double plus perturbative triple excitation [RCCSD(T)] potenti...

The SN2 reaction and its relationship with the Walden inversion, the Finkelstein and Menshutkin reactions together with theoretical calculations for the Finkelstein reaction

Alkorta, Ibon
Elguero, José

November 2021

This communication gives an overview of the relationships between four reactions that although relat...

Ab initio calculations on the X˜¹A' and Ã¹A" states of HPO and Franck-Condon simulation of the single vibronic level emission spectra of HPO and DPO

Lee, EPF
Mok, DKW
Chau, FT
Dyke, JM

December 2014

2007-2008 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Ab initio calculations on low-lying electronic states of SbO₂‾ and Franck-Condon simulation of its photodetachment spectrum

Lee, EPF
Dyke, JM
Mok, DKW
Chau, FT
Chow, WK

December 2014

2007-2008 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Franck-Condon simulation of the single-vibronic-level emission spectra of HPCI/DPCI and the chemiluminescence spectrum of HPCI, including anharmonicity

Chau, FT
Mok, DKW
Lee, EPF
Dyke, JM

December 2014

2004-2005 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Franck-Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity

Mok, DKW
Lee, EPF
Chau, FT
Dyke, JM

December 2014

2003-2004 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Ab initio calculations on SCl₂ and low-lying cationic states of SCl₂⁺ : Franck-Condon simulation of the UV photoelectron spectrum of SCl₂

Mok, DKW
Chau, FT
Lee, EPF
Dyke, JM

December 2014

Author name used in this publication: F. T. Chau2006-2007 > Academic research: refereed > Publicatio...

Franck-Condon simulation, including anharmonicity, of the photodetachment spectrum of P₂H‾ : restricted-spin coupled-cluster single-double plus perturbative triple and unrestricted-spin coupled-cluster single-double plus perturbative triple -F12x potential energy functions of P₂H and P₂H‾

Mok, DKW
Lee, EPF
Chau, FT
Dyke, JM

December 2014

2011-2012 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

ALGEBRAIC APPROACH FOR THE CALCULATION OF POLYATOMIC FRANCK-CONDON FACTORS: APPLICATION TO THE VIBRONICALLY-RESOLVED EMISSION SPECTRUM OF $S_{2}O$

Müller, Thomas
Dupré, Patrick
Vaccaro, P. H.
Pérez-Bernal, F.
Iachello, F.

January 1998

$^{a}$ Permanent address: High Magnetic Field Laboratory, CNRS, BP 166, 38042 Grenoble, Cedex 9 (Fra...

Response to “Comment on ‘Atomization energies and enthalpies of formation of the SnBi[sub n] (n=1–3) gaseous molecules by Knudsen cell mass spectrometry’ ” [J. Chem. Phys. 118, 4766 (2003)]

Meloni, Giovanni
Gingerich, Karl A

January 2003

Discusses atomization energies and enthalpies of formation of gaseous molecules of compounds contain...

AB INITIO CALCULATIONS OF VIBRATIONAL LEVELS AND FRANCK-CONDON FACTORS FOR LASER-COOLABLE MOLECULES

Zhang, Chaoqun

Vibrational energy levels and Franck-Condon factors (FCFs) of laser-coolable molecules has attracted...

Franck-condon simulations including anharmonicity of the a-x and SVL emission of HSiCl and DSiCl

Mok, Daniel W. K.
Lee, Edmond P. F.
Chau, Foo-Tim
Dyke, John M.

January 2009

RCCSD(T) and/or CASSCF/MRCI calculations have been carried out on the 1A? and 1A?? states of HSiCl e...

Mass Spectrometric and Computational Study of SnPb in the Gas Phase

Gigli, G
Meloni, Giovanni
Carrozzino, M

January 2005

The SnPb molecule has been identified in a Knudsen effusion mass spectrometry experiment. The direct...

THE FRANCK-CONDON PRINCIPLE AND THE 3600$^{\circ}$ SYSTEM OF $CIO_{2}{^{*}}$

Coon, J. B.
DeWames, R. E.
Lovd, C. M.
Cesani, F. A.

January 1961

$^{*}$Supported by the Air Force Office Of Scientific Research. $^{1}$J. B. Coon, R. E. DeWames, C. ...

Franck-Condon simulation of the photoelectron spectrum of AsCl(2) and the photodetachment spectrum of AsCl?2- employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl(2)

Mok, Daniel K.W.
Lee, Edmond P.F.
CHAU, Foo-Tim
Dyke, John M.

June 2011

The currently most reliable theoretical estimates of the adiabatic ionization energies (AIE0) from t...

Franck-Condon simulation of the single-vibronic-level emission spectra of HPCI/DPCl and the chemiluminescence spectrum of HPCI, including anharmonicity

Chau, Foo-tim
Mok, Daniel K.W.
Lee, Edmond P.F.
Dyke, John M.

July 2004

Restricted-spin coupled-cluster single-double plus perturbative triple excitation [RCCSD(T)] potenti...

The SN2 reaction and its relationship with the Walden inversion, the Finkelstein and Menshutkin reactions together with theoretical calculations for the Finkelstein reaction

Alkorta, Ibon
Elguero, José

November 2021

This communication gives an overview of the relationships between four reactions that although relat...

Ab initio calculations on SnCl₂and Franck-Condon factor simulations of its ã-X˜ and B˜-X˜ absorption and single-vibronic-level emission spectra

Abstract

Extracted data

Ab initio calculations on SnCl₂and Franck-Condon factor simulations of its ã-X˜ and B˜-X˜ absorption and single-vibronic-level emission spectra

Abstract

Extracted data

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