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1

A molecular quantum switch based on tunneling in meta - d -phenol C 6 H 4 DOH

Fábri, Csaba, Albert, Sieghard, Chen, Ziqiu, Prentner, Robert, Quack, Martin

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 4.06 MB

english, 2018

2

A hybrid variational–perturbational nuclear motion algorithm

Fábri, Csaba, Furtenbacher, Tibor, Császár, Attila G.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 128 KB

english, 2014

3

Modelling rotations, vibrations, and rovibrational couplings in astructural molecules – a case study based on the H +5 molecular ion

Sarka, János, Fábri, Csaba, Szidarovszky, Tamás, Császár, Attila G., Lin, Zhou, McCoy, Anne B.

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 508 KB

english, 2015

4

Numerically constructed internal-coordinate Hamiltonian with Eckart embedding and its application for the inversion tunneling of ammonia

Fábri, Csaba, Mátyus, Edit, Császár, Attila G.

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 350 KB

english, 2014

5

Controlling tunneling in ammonia isotopomers

Fábri, Csaba, Marquardt, Roberto, Császár, Attila G., Quack, Martin

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 5.30 MB

english, 2019

6

Quasistructural molecules

Császár, Attila G., Fábri, Csaba, Sarka, János

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2019

Language:

english

File:

PDF, 2.80 MB

english, 2019

7

Striking Generic Impact of Light-Induced Non-Adiabaticity in Polyatomic Molecules

Fabri, Csaba, Lasorne, Benjamin, Halasz, Gabor J., Cederbaum, Lorenz S., Vibok, Agnes

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 1.07 MB

2020

8

A combined Gigahertz and Terahertz (FTIR) spectroscopic investigation of meta-D-phenol: observation of tunnelling switching

Albert, Sieghard, Chen, Ziqiu, Fábri, Csaba, Lerch, Philippe, Prentner, Robert, Quack, Martin

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 1.65 MB

english, 2016

9

Communication: Rigidity of the molecular ion H5+

Fábri, Csaba, Sarka, János, Császár, Attila G.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 343 KB

english, 2014

10

Liquid–Vapor Interface of Formic Acid Solutions in Salt Water: A Comparison of Macroscopic Surface Tension and Microscopic in Situ X-ray Photoelectron Spectroscopy Measurements

Pruyne, Jefferson G., Lee, Ming-Tao, Fábri, Csaba, Beloqui Redondo, Amaia, Kleibert, Armin, Ammann, Markus, Brown, Matthew A., Krisch, Maria J.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 543 KB

english, 2014

11

MARVEL analysis of the rotational–vibrational states of the molecular ions H2D+ and D2H+

Furtenbacher, Tibor, Szidarovszky, Tamás, Fábri, Csaba, Császár, Attila G.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.34 MB

english, 2013

12

Reduced-Dimensional Quantum Computations for the Rotational–Vibrational Dynamics of F – –CH 4 and F – –CH 2 D 2

Fábri, Csaba, Császár, Attila G., Czakó, Gábor

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 334 KB

english, 2013

13

On the use of nonrigid-molecular symmetry in nuclear motion computations employing a discrete variable representation: A case study of the bending energy levels of C H 5 +

Fábri, Csaba, Quack, Martin, Császár, Attila G.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 949 KB

english, 2017

14

Analysis of the Rotational–Vibrational States of the Molecular Ion H 3+

Furtenbacher, Tibor, Szidarovszky, Tamás, Mátyus, Edit, Fábri, Csaba, Császár, Attila G.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 287 KB

english, 2013

15

Isotope effects on the resonance interactions and vibrational quantum dynamics of fluoroform 12,13 CHF 3

Albert, Sieghard, Bekhtereva, Elena, Bolotova, Irina, Chen, Ziqiu, Fábri, Csaba, Hollenstein, Hans, Quack, Martin, Ulenikov, Oleg

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.04 MB

english, 2017

16

Vibrational Quantum Graphs and Their Application to the Quantum Dynamics of CH 5+

Fábri, Csaba, Csaszar, Attila G

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.84 MB

english, 2018

17

Tunneling and Parity Violation in Trisulfane (HSSSH): An Almost Ideal Molecule for Detecting Parity Violation in Chiral Molecules

Fábri, Csaba, Horný, Ľuboš, Quack, Martin

Journal:

Year:

2015

Language:

english

File:

PDF, 2.12 MB

english, 2015

18

Temperature-Dependent, Effective Structures of the 14 NH 3 and 14 ND 3 Molecules

Szabó, István, Fábri, Csaba, Czakó, Gábor, Mátyus, Edit, Császár, Attila G.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 749 KB

english, 2012

19

Synchrotron-based Highest Resolution Terahertz Spectroscopy of the ν24 Band System of 1,2-Dithiine (C4H4S2): A Candidate for Measuring the Parity Violating Energy Difference between Enantiomers of Chiral Molecules

Albert, Sieghard, Arn, Fabienne, Bolotova, Irina, Chen, Ziqiu, Fabri, Csaba, Grassi, Guido, Lerch, Philippe, Quack, Martin, Seyfang, Georg, Wokaun, Alexander, Zindel, Daniel

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 804 KB

english, 2016

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