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Complexes of LiF and LiCl with LiF, LiCl, LiH, HF, HCl, H2, Li2, F2, Cl2, FCl, H2O and NH3. Structures, energies and vibrational frequencies

Molecular physics, 2023-02, Vol.121 (4)

Grein, Friedrich

2023

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Complexes of LiF and LiCl with LiF, LiCl, LiH, HF, HCl, H 2 , Li 2 , F 2 , Cl 2 , FCl, H 2 O and NH 3 . Structures, energies and vibrational frequencies

Molecular physics, 2023-02, Vol.121 (4)

Grein, Friedrich

2023

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Dimers and trimers of HF, H2O, NH3 and CH4 with N2. Ab initio studies on structures and vibrational frequencies

Molecular physics, 2021-04, Vol.119 (8)

Grein, Friedrich

2021

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Theoretical studies on complexes with ammonia: comparison with H2O complexes: hydrogen bonding

Molecular physics, 2021-06, Vol.119 (12)

Grein, Friedrich

2021

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Theoretical studies on complexes with ammonia: comparison with H 2 O complexes: hydrogen bonding

Molecular physics, 2021-06, Vol.119 (12), p.e1938268

Grein, Friedrich

2021

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Dimers and trimers of HF, H 2 O, NH 3 and CH 4 with N 2 . Ab initio studies on structures and vibrational frequencies

Molecular physics, 2021-04, Vol.119 (8), p.e1878303

Grein, Friedrich

2021

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Additivity and non-additivity of dissociation energies in intermolecular interactions. Theoretical studies on (H2)n, n = 2-8, (CO2)n, n = 2-6 and (HF)n, n = 2-8

Molecular physics, 2020-09, Vol.118 (18), p.e1753839

Grein, Friedrich

2020

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Ab initio studies on the NO(X2II) − O2(X3 Σg−) van der Waals complexes in the doublet state

Molecular physics, 2020-02, Vol.118 (3)

Grein, Friedrich

2020

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Ab initio studies on the NO(X 2 II) − O 2 (X 3 Σ g − ) van der Waals complexes in the doublet state

Molecular physics, 2020-02, Vol.118 (3), p.e1606463

Grein, Friedrich

2020

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High-level ab initio studies of NO(X2[Pi])-O2(X3[Sigma]g -) van der Waals complexes in quartet states

Molecular physics, 2018-05, Vol.116 (9), p.1251

Grein, Friedrich

2018

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High-level ab initio studies of NO(X 2 Π)–O 2 (X 3 Σ g − ) van der Waals complexes in quartet states

Molecular physics, 2018-05, Vol.116 (9), p.1251-1257

Grein, Friedrich

2018

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Structure and properties of the anions MF4−, MCl4− and MBr4− (M = C, Si, Ge)

Molecular physics, 2015-04, Vol.113 (8), p.790-800

Grein, Friedrich

2015

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Structure and properties of the anions MF 4 − , MCl 4 − and MBr 4 − (M = C, Si, Ge)

Molecular physics, 2015-04, Vol.113 (8), p.790-800

Grein, Friedrich

2015

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Structure and properties of the anions MF sub(4) super(-), MCl sub(4) super(-) and MBr sub(4) super(-) (M = C, Si, Ge)

Molecular physics, 2015-04, Vol.113 (8), p.790-800

Grein, Friedrich

2015

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The ClO4 radical: a theoretical study on ground and excited states

Molecular physics, 2009-10, Vol.107 (19), p.2005-2013

Grein, Friedrich

2009

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The ClO 4 radical: a theoretical study on ground and excited states

Molecular physics, 2009-10, Vol.107 (19), p.2005-2013

Grein, Friedrich

2009

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The electronic structure of the H2CO+ radical and higher Rydberg states of H2CO

Molecular physics, 1998-08, Vol.94 (6), p.917-928

PABLO J. BRUNA MICHEL R. J. HACHEY FRIEDRICH GREIN

1998

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The X 2 Π and A 2 Σ + states of FH + , ClH + and BrH + : theoretical study of their g -factors and fine/hyperfine structures

Molecular physics, 2006-02, Vol.104 (3), p.429-446

2006

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The X2Π and A2Σ+ states of FH+, ClH+ and BrH+: theoretical study of their g -factors and fine/hyperfine structures

Molecular physics, 2006-02, Vol.104 (3), p.429-446

2006

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Theoretical studies on singlet and triplet states of Ge2

Molecular physics, 2005-12, Vol.103 (24), p.3253-3261

2005

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Theoretical studies on singlet and triplet states of Ge 2

Molecular physics, 2005-12, Vol.103 (24), p.3253-3261

2005

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Theoretical study of hyperfine coupling constants and electron spin g factors for X2Σ+ diatomics from Groups 1 and 2

Molecular physics, 2002-06, Vol.100 (11), p.1681-1691

2002

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Theoretical study of hyperfine coupling constants and electron spin g factors for X 2 Σ + diatomics from Groups 1 and 2

Molecular physics, 2002-06, Vol.100 (11), p.1681-1691

2002

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Theoretical study of the vertical electronic spectra of O − 2 and the superoxides LiO 2 and NaO 2

Molecular physics, 1999-08, Vol.97 (3), p.321-328

1999

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Theoretical study of the vertical electronic spectra of O− 2 and the superoxides LiO2 and NaO2

Molecular physics, 1999-08, Vol.97 (3), p.321-328

1999

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Complexes of LiF and LiCl with LiF, LiCl, LiH, HF, HCl, H2, Li2, F2, Cl2, FCl, H2O and NH3. Structures, energies and vibrational frequencies

Complexes of LiF and LiCl with LiF, LiCl, LiH, HF, HCl, H 2 , Li 2 , F 2 , Cl 2 , FCl, H 2 O and NH 3 . Structures, energies and vibrational frequencies

Dimers and trimers of HF, H2O, NH3 and CH4 with N2. Ab initio studies on structures and vibrational frequencies

Theoretical studies on complexes with ammonia: comparison with H2O complexes: hydrogen bonding

Theoretical studies on complexes with ammonia: comparison with H 2 O complexes: hydrogen bonding

Dimers and trimers of HF, H 2 O, NH 3 and CH 4 with N 2 . Ab initio studies on structures and vibrational frequencies

Additivity and non-additivity of dissociation energies in intermolecular interactions. Theoretical studies on (H2)n, n = 2-8, (CO2)n, n = 2-6 and (HF)n, n = 2-8

Ab initio studies on the NO(X2II) − O2(X3 Σg−) van der Waals complexes in the doublet state

Ab initio studies on the NO(X 2 II) − O 2 (X 3 Σ g − ) van der Waals complexes in the doublet state

High-level ab initio studies of NO(X2[Pi])-O2(X3[Sigma]g -) van der Waals complexes in quartet states

High-level ab initio studies of NO(X 2 Π)–O 2 (X 3 Σ g − ) van der Waals complexes in quartet states

Structure and properties of the anions MF4−, MCl4− and MBr4− (M = C, Si, Ge)

Structure and properties of the anions MF 4 − , MCl 4 − and MBr 4 − (M = C, Si, Ge)

Structure and properties of the anions MF sub(4) super(-), MCl sub(4) super(-) and MBr sub(4) super(-) (M = C, Si, Ge)

The ClO4 radical: a theoretical study on ground and excited states

The ClO 4 radical: a theoretical study on ground and excited states

The electronic structure of the H2CO+ radical and higher Rydberg states of H2CO

The X 2 Π and A 2 Σ + states of FH + , ClH + and BrH + : theoretical study of their g -factors and fine/hyperfine structures

The X2Π and A2Σ+ states of FH+, ClH+ and BrH+: theoretical study of their g -factors and fine/hyperfine structures

Theoretical studies on singlet and triplet states of Ge2

Theoretical studies on singlet and triplet states of Ge 2

Theoretical study of hyperfine coupling constants and electron spin g factors for X2Σ+ diatomics from Groups 1 and 2

Theoretical study of hyperfine coupling constants and electron spin g factors for X 2 Σ + diatomics from Groups 1 and 2

Theoretical study of the vertical electronic spectra of O − 2 and the superoxides LiO 2 and NaO 2

Theoretical study of the vertical electronic spectra of O− 2 and the superoxides LiO2 and NaO2

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