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J

Jürgen Gauß

johannes gutenberg-universitat mainz

85H-index
450Paper Count
3.0WCitation Count
Published Papers 189
Publication Date
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Infrared Detection and High-Resolution Spectroscopic Study of Very Heavy Carbon Subchalcogenides: Tricarbon Telluride; C3Te; and Carbon Subtelluride; TeC3Te
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-30
err0
PREAI
errJohn B. Dudek; Sophia Burger; Thomas Salomon; Luis Bonah; Stephan Schlemmer; Jürgen Gauss; Sven Thorwirth
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Dynamic breaking of mirror symmetry in spin-dependent electron transport through chiral media causes enantiomeric excesses
errScience Advances
IF12.5
err2026-04-22
err0
errOAAI
errYossi Paltiel; Daniel Goldberg; Nir Yuran; Shira Yochelis; Jia Hao Soh; Christopher Seibel; Jürgen Gauss; Shmuel Zilberg; S. Furkan Ozturk; Jonas Fransson; Anna I. Krylov; Ron Naaman
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Experimental Proof of Strong Π–Σ Mixing in the Renner–Teller and Pseudo-Jahn–Teller Affected CCH+ (3Π) Ion
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-08
err0
PREAI
errKim Steenbakkers; P. Bryan Changala; Weslley G. D. P. Silva; John F. Stanton; Filippo Lipparini; Jürgen Gauss; Oskar Asvany; Gerrit C. Groenenboom; Britta Redlich; Stephan Schlemmer; Sandra Brünken
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A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry
errThe Journal of Physical Chemistry A
IF2.8
err2026-03-02
err0
errOAAI
errLuca Melega; Tommaso Nottoli; Jürgen Gauss; Filippo Lipparini
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Cholesky Decomposition and the Second-Derivative Two-Electron Integrals Required for the Computation of Magnetizabilities Using Gauge-Including Atomic Orbitals
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2024-12-31
err0
errOAAI
errBurger, Sophia; Stopkowicz, Stella; Gauss, Juergen
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Adaptive resolution force probe simulations: Coarse graining in the ideal gas approximation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-16
err0
errOAAI
errOestereich, Marco; Gauss, Juergen; Diezemann, Gregor
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MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-29
err4
errOAAI
errGreiner, Jonas; Gianni, Ivan; Nottoli, Tommaso; Lipparini, Filippo; Eriksen, Janus J.; Gauss, Jurgen
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Choice of the Right Supporting Electrolyte in Electrochemical Reductions: A Principal Component Analysis
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-05-24
err2
PREAI
errMast, Florian; Hielscher, Maximilian M.; Wirtanen, Tom; Erichsen, Max; Gauss, Juergen; Diezemann, Gregor; Waldvogel, Siegfried R.
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Theoretical prediction of closed-shell paramagnetism for scandium and yttrium hydride
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-02-09
err0
errOAAI
errGrazioli, Laura; Schleicher, Luca T.; Stopkowicz, Stella; Gauss, Juergen
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Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-10
err6
errOAAI
errZhang, Chaoqun; Lipparini, Filippo; Stopkowicz, Stella; Gauss, Juergen; Cheng, Lan
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A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-15
err4
errOAAI
errNottoli, Tommaso; Gauss, Juergen; Lipparini, Filippo
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Hyperfine-resolved spectra of HDS together with a global ro-vibrational analysis
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-04
err0
errOAAI
errMelosso, Mattia; Jiang, Ningjing; Gauss, Juergen; Puzzarini, Cristina
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The He-H3+ complex. I. Vibration-rotation-tunneling states and transition probabilities
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-13
err2
errOAAI
errHarding, Michael E.; Lipparini, Filippo; Gauss, Juergen; Gerlich, Dieter; Schlemmer, Stephan; van der Avoird, Ad
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The He-H3+ complex. II. Infrared predissociation spectrum and energy term diagram
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-13
err3
errOAAI
errSalomon, Thomas; Brackertz, Stefan; Asvany, Oskar; Savic, Igor; Gerlich, Dieter; Harding, Michael E.; Lipparini, Filippo; Gauss, Juergen; van der Avoird, Ad; Schlemmer, Stephan
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Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-12-14
err6
errOAAI
errKirsch, Till; Olsen, Jogvan Magnus Haugaard; Bolnykh, Viacheslav; Meloni, Simone; Ippoliti, Emiliano; Rothlisberger, Ursula; Cascella, Michele; Gauss, Juergen
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errSave
Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-11-01
err21
errOAAI
errNottoli, Tommaso; Gauss, Juergen; Lipparini, Filippo
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NMR chemical shift computations at second-order Moller-Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-08-18
err16
errOAAI
errBurger, Sophia; Lipparini, Filippo; Gauss, Juergen; Stopkowicz, Stella
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errSave
DLPNO-MP2 second derivatives for the computation of polarizabilities and NMR shieldings
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-04-29
err40
errOAAI
errStoychev, Georgi L.; Auer, Alexander A.; Gauss, Juergen; Neese, Frank
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Incremental treatments of the full configuration interaction problem
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2021-02-27
err13
errOAAI
errEriksen, Janus J.; Gauss, Juergen
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Ground and excited state first-order properties in many-body expanded full configuration interaction theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-10-16
err18
errOAAI
errEriksen, Janus J.; Gauss, Juergen
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Research Directions

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Co-authors
Cooperation Journals
K
Kläus Müllen
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E
E. W. Meijer
H-index: 144 · Papers: 1.3K
F
Frank Neese
H-index: 141 · Papers: 977
H
Henry F. Schaefer
H-index: 128 · Papers: 2.2K
G
Gernot Frenking
H-index: 116 · Papers: 1.4K
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