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CH4–N2, NH3–N2, H2O–N2 and HF–N2 complexes: Ab initio studies and comparisons—transition to hydrogen bonding

Theoretical chemistry accounts, 2020-11, Vol.139 (11), Article 166

Grein, Friedrich

2020

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Ab initio studies on complexes of ozone with diatomic molecules

Structural chemistry, 2023-02, Vol.34 (1), p.317-325

Grein, Friedrich

2023

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Twist Angles and Rotational Energy Barriers of Biphenyl and Substituted Biphenyls

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-04, Vol.106 (15), p.3823-3827

Grein, Friedrich

2002

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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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CH4O2, NH3O2, H2OO2 and HFO2 triplet complexes. Ab initio studies and comparisons. From van der Waals to hydrogen bonding

Computational and theoretical chemistry, 2020-07, Vol.1182, Article 112834

Grein, Friedrich

2020

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CH4O2, NH3O2, H2O O2 and HF O2 triplet complexes. Ab initio studies and comparisons. From van der Waals to hydrogen bonding

Computational and theoretical chemistry, 2020-07, Vol.1182, p.112834, Article 112834

Grein, Friedrich

2020

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High-level ab initio studies of the complex formed between CO and O 2

Chemical physics, 2017-05, Vol.488-489, p.11-16

Grein, Friedrich

2017

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High-level ab initio studies of the complex formed between CO and O2

Chemical physics, 2017-05, Vol.488-489, p.11-16

Grein, Friedrich

2017

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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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Ab initio studies of the van der Waals complex CH4–O2. CH···O and CX···O interactions in halomethane X n CH4−n–O2 complexes (X = F, Cl; n = 1, 2, 3)

Theoretical chemistry accounts, 2018-05, Vol.137 (5), p.1-7, Article 70

Grein, Friedrich

2018

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The CO2-O2 van der Waals complex

Computational and theoretical chemistry, 2017-08, Vol.1114, p.101-105

Grein, Friedrich

2017

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Ab initio studies of the van der Waals complex CH4–O2. CH···O and CX···O interactions in halomethane XnCH4−n–O2 complexes (X = F, Cl; n = 1, 2, 3)

Theoretical chemistry accounts, 2018, Vol.137 (5)

Grein, Friedrich

2018

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The CO 2 -O 2 van der Waals complex

Computational and theoretical chemistry, 2017-08, Vol.1114, p.101-105

Grein, Friedrich

2017

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Pseudo Jahn-Teller coupling in trioxides XO3((0,1,-1)) with 22 and 23 valence electrons

The Journal of chemical physics, 2013-05, Vol.138 (20), p.204305-204305

Grein, Friedrich

2013

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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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CH4–N2, NH3–N2, H2O–N2 and HF–N2 complexes: Ab initio studies and comparisons—transition to hydrogen bonding

Ab initio studies on complexes of ozone with diatomic molecules

Twist Angles and Rotational Energy Barriers of Biphenyl and Substituted Biphenyls

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

CH4O2, NH3O2, H2OO2 and HFO2 triplet complexes. Ab initio studies and comparisons. From van der Waals to hydrogen bonding

CH4O2, NH3O2, H2O O2 and HF O2 triplet complexes. Ab initio studies and comparisons. From van der Waals to hydrogen bonding

High-level ab initio studies of the complex formed between CO and O 2

High-level ab initio studies of the complex formed between CO and O2

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

Ab initio studies of the van der Waals complex CH4–O2. CH···O and CX···O interactions in halomethane X n CH4−n–O2 complexes (X = F, Cl; n = 1, 2, 3)

The CO2-O2 van der Waals complex

Ab initio studies of the van der Waals complex CH4–O2. CH···O and CX···O interactions in halomethane XnCH4−n–O2 complexes (X = F, Cl; n = 1, 2, 3)

The CO 2 -O 2 van der Waals complex

Pseudo Jahn-Teller coupling in trioxides XO3((0,1,-1)) with 22 and 23 valence electrons

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)

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