UB Paderborn / Katalog / Suche / in CDI

Ab initio structure and vibration-rotation dynamics of the formyl and isoformyl cations, HCO+/HOC

The Journal of chemical physics, 2019-04, Vol.150 (15), p.154307-154307

Koput, Jacek

2019

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The ground-state potential energy function of a beryllium dimer determined using the single-reference coupled-cluster approach

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (45), p.2311-2317

Koput, Jacek

2011

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The ab initio ground-state potential energy function of beryllium monohydride, BeH

The Journal of chemical physics, 2011-12, Vol.135 (24), p.244308-244308-7

Koput, Jacek

2011

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Ab Initio Structure and Dynamics of Beryllium Monofluoride and Its Anion

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-11

Koput, Jacek

2024

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Ab Initio Ground-State Potential Energy Function and Vibration–Rotation Energy Levels of Magnesium Monohydride

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-05, Vol.128 (19), p.3855-3863

Koput, Jacek

2024

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Toward Accurate Ab Initio Ground-State Potential Energy and Electric Dipole Moment Functions of Carbon Monoxide

Journal of chemical theory and computation, 2024-10, Vol.20 (20), p.9041-9047

Koput, Jacek

2024

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Ab Initio Potential Energy Surface and Vibration–Rotation Energy Levels of Aluminum Monohydroxide

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-10, Vol.127 (41), p.8607-8614

Koput, Jacek

2023

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Fluorescent H-aggregates of an asymmetrically substituted mono-amino Zn(ii) phthalocyanine

Dalton transactions : an international journal of inorganic chemistry, 2017, Vol.46 (6), p.1914-1926

2017

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Highly accurate HF dimer ab initio potential energy surface

The Journal of chemical physics, 2022-04, Vol.156 (16), p.164305

2022

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Ab initio characterization of the aluminum dimer in its X 3Πu and A 3∑g− electronic states

Journal of computational chemistry, 2022-05, Vol.43 (14), p.986-993

Koput, Jacek

2022

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Ground‐state potential energy functions and vibration‐rotation energy levels of beryllium lithium and its cation

Journal of computational chemistry, 2022-03, Vol.43 (7), p.491-498

Koput, Jacek

2022

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Ab initio potential energy surface and vibration-rotation energy levels of magnesium monohydroxide revisited

Journal of molecular spectroscopy, 2023-05, Vol.395, p.111805, Article 111805

Koput, Jacek

2023

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Ab Initio Ground‐State Potential Energy Function and Vibration‐Rotation Energy Levels of Aluminum Monohydride

Journal of computational chemistry, 2019-11, Vol.40 (29), p.2522-2529

Koput, Jacek

2019

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Ab initio structure and vibration‐rotation dynamics of germylene, GeH2

Journal of computational chemistry, 2019-08, Vol.40 (21), p.1911-1918

Koput, Jacek

2019

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Ab initio structure and vibration-rotation dynamics of germylene, GeH 2

Journal of computational chemistry, 2019-08, Vol.40 (21), p.1911-1918

Koput, Jacek

2019

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Ab initio potential energy surface and vibration–rotation energy levels of germanium dicarbide, GeC2

Journal of computational chemistry, 2018-07, Vol.39 (19), p.1327-1334

Koput, Jacek

2018

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Ab initio potential energy surface and vibration‐rotation energy levels of sulfur dioxide

Journal of computational chemistry, 2017-05, Vol.38 (12), p.892-900

Koput, Jacek

2017

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Ab initio potential energy surface and vibration-rotation energy levels of germanium dicarbide, GeC 2

Journal of computational chemistry, 2018-07, Vol.39 (19), p.1327-1334

Koput, Jacek

2018

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Ab initio potential energy surface and vibration‐rotation energy levels of beryllium monohydroxide

Journal of computational chemistry, 2017-01, Vol.38 (1), p.37-43

Koput, Jacek

2017

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Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC2

Journal of computational chemistry, 2016-10, Vol.37 (26), p.2395-2402

Koput, Jacek

2016

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Acid–Base Equilibriums of Lumichrome and its 1-Methyl, 3-Methyl, and 1,3-Dimethyl Derivatives

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-07, Vol.116 (28), p.7474-7490

2012

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Ab initio potential energy surface and vibration-rotation energy levels of disilicon carbide, CSi2

Journal of molecular spectroscopy, 2017-12, Vol.342, p.83-91

Koput, Jacek

2017

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Ab initio ground-state potential energy function and vibration-rotation energy levels of imidogen, NH

Journal of computational chemistry, 2015-06, Vol.36 (17), p.1286-1294

Koput, Jacek

2015

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Ab initio potential energy surface and vibration‐rotation energy levels of silicon dicarbide, SiC 2

Journal of computational chemistry, 2016-10, Vol.37 (26), p.2395-2402

Koput, Jacek

2016

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Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC^sub 2

Journal of computational chemistry, 2016-10, Vol.37 (26), p.2395

Koput, Jacek

2016

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Ab initio structure and vibration-rotation dynamics of the formyl and isoformyl cations, HCO+/HOC

The ground-state potential energy function of a beryllium dimer determined using the single-reference coupled-cluster approach

The ab initio ground-state potential energy function of beryllium monohydride, BeH

Ab Initio Structure and Dynamics of Beryllium Monofluoride and Its Anion

Ab Initio Ground-State Potential Energy Function and Vibration–Rotation Energy Levels of Magnesium Monohydride

Toward Accurate Ab Initio Ground-State Potential Energy and Electric Dipole Moment Functions of Carbon Monoxide

Ab Initio Potential Energy Surface and Vibration–Rotation Energy Levels of Aluminum Monohydroxide

Fluorescent H-aggregates of an asymmetrically substituted mono-amino Zn(ii) phthalocyanine

Highly accurate HF dimer ab initio potential energy surface

Ab initio characterization of the aluminum dimer in its X 3Πu and A 3∑g− electronic states

Ground‐state potential energy functions and vibration‐rotation energy levels of beryllium lithium and its cation

Ab initio potential energy surface and vibration-rotation energy levels of magnesium monohydroxide revisited

Ab Initio Ground‐State Potential Energy Function and Vibration‐Rotation Energy Levels of Aluminum Monohydride

Ab initio structure and vibration‐rotation dynamics of germylene, GeH2

Ab initio structure and vibration-rotation dynamics of germylene, GeH 2

Ab initio potential energy surface and vibration–rotation energy levels of germanium dicarbide, GeC2

Ab initio potential energy surface and vibration‐rotation energy levels of sulfur dioxide

Ab initio potential energy surface and vibration-rotation energy levels of germanium dicarbide, GeC 2

Ab initio potential energy surface and vibration‐rotation energy levels of beryllium monohydroxide

Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC2

Acid–Base Equilibriums of Lumichrome and its 1-Methyl, 3-Methyl, and 1,3-Dimethyl Derivatives

Ab initio potential energy surface and vibration-rotation energy levels of disilicon carbide, CSi2

Ab initio ground-state potential energy function and vibration-rotation energy levels of imidogen, NH

Ab initio potential energy surface and vibration‐rotation energy levels of silicon dicarbide, SiC 2

Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC^sub 2

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