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Rauhut, Guntram
165  results:
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1

Rovibrational calculations without model Hamiltonians: The ..:

Das, Subhasish ; Rauhut, Guntram
International Journal of Quantum Chemistry.  124 (2024)  9 - p. , 2024
Link: https://doi.org/10.1002/..
 
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2

From the Automated Calculation of Potential Energy Surfaces..:

Schröder, Benjamin ; Rauhut, Guntram
The Journal of Physical Chemistry Letters.  15 (2024)  11 - p. 3159-3169 , 2024
Link: https://doi.org/10.1021/..
 
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3

Spectroscopic Identification and Photochemistry of Astroche..:

Zhu, Bifeng ; Wang, Minghao ; Jiang, Junjie...
The Astrophysical Journal.  964 (2024)  2 - p. 182 , 2024
Link: https://doi.org/10.3847/..
 
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4

Diborane anharmonic vibrational frequencies and Intensities..:

Strom, Aaron I. ; Muddasser, Ibrahim ; Rauhut, Guntram.
Journal of Molecular Spectroscopy.  400 (2024)  - p. 111887 , 2024
Link: https://doi.org/10.1016/..
 
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5

VSCF/VCI theory based on the Podolsky Hamiltonian:

Schneider, Moritz ; Rauhut, Guntram
The Journal of Chemical Physics.  160 (2024)  21 - p. , 2024
Link: https://doi.org/10.1063/..
 
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6

Spectroscopic Identification of Diphosphene HPPH and Isomer..:

Lu, Bo ; Wang, Lina ; Jiang, Xin..
Angewandte Chemie.  135 (2023)  10 - p. , 2023
Link: https://doi.org/10.1002/..
 
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7

Spectroscopic Characterization of Diazophosphane—A Candidat..:

Tschöpe, Martin ; Rauhut, Guntram
The Astrophysical Journal.  949 (2023)  1 - p. 1 , 2023
Link: https://doi.org/10.3847/..
 
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8

Identification and Photochemistry of the Mercaptomethyl Rad..:

Shao, Xin ; Wu, Zhuang ; Wang, Lina..
The Journal of Physical Chemistry Letters.  14 (2023)  46 - p. 10450-10456 , 2023
Link: https://doi.org/10.1021/..
 
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9

FP(μ‐N)2S: A Sulfur‐Pnictogen Four‐Membered Ring with 6π El..:

Zhu, Bifeng ; Song, Yanlin ; Zhu, Jun...
Chemistry – A European Journal.  29 (2023)  45 - p. , 2023
Link: https://doi.org/10.1002/..
 
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10

A theoretical study of propynal under interstellar conditio..:

Tschöpe, Martin ; Rauhut, Guntram
Monthly Notices of the Royal Astronomical Society.  520 (2023)  3 - p. 3345-3354 , 2023
Link: https://doi.org/10.1093/..
 
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11

Comprehensive quantum chemical analysis of the (ro)vibratio..:

De Vos, John ; Schröder, Benjamin ; Rauhut, Guntram
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.  302 (2023)  - p. 123083 , 2023
Link: https://doi.org/10.1016/..
 
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12

Positioning of grid points for spanning potential energy su..:

Schneider, Moritz ; Born, Daniel ; Kästner, Johannes.
The Journal of Chemical Physics.  158 (2023)  14 - p. , 2023
Link: https://doi.org/10.1063/..
 
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13

Hydrogen-Bonded π Complexes between Phosphaethyne and Hydro..:

Jiang, Junjie ; Lu, Bo ; Zhu, Bifeng...
The Journal of Physical Chemistry Letters.  14 (2023)  18 - p. 4327-4333 , 2023
Link: https://doi.org/10.1021/..
 
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14

Spectroscopic Identification of Diphosphene HPPH and Isomer..:

Lu, Bo ; Wang, Lina ; Jiang, Xin..
Angewandte Chemie International Edition.  62 (2023)  10 - p. , 2023
Link: https://doi.org/10.1002/..
 
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15

Phosphenic isocyanate (O2PNCO): gas-phase generation, chara..:

Zhu, Bifeng ; Jiang, Junjie ; Lu, Bo...
Chemical Communications.  58 (2022)  76 - p. 10703-10706 , 2022
Link: https://doi.org/10.1039/..
 
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