All papers authored by Jochen Autschbach
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2023
Daniel Mejia-Rodriguez 
,
Edoardo Aprà ,
Jochen Autschbach ,
Nicholas P. Bauman,
Eric J. Bylaska ,
Niranjan Govind ,
Jeff R. Hammond ,
Karol Kowalski ,
Alexander Kunitsa,
Ajay Panyala,
Bo Peng ,
John J. Rehr ,
Huajing Song ,
Sergei Tretiak ,
Marat Valiev
and 1 other authors
,
Edoardo Aprà ,
Jochen Autschbach ,
Nicholas P. Bauman,
Eric J. Bylaska ,
Niranjan Govind ,
Jeff R. Hammond ,
Karol Kowalski ,
Alexander Kunitsa,
Ajay Panyala,
Bo Peng ,
John J. Rehr ,
Huajing Song ,
Sergei Tretiak ,
Marat Valiev
and 1 other authors
NWChem: Recent and Ongoing Developments
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Giovanni Li Manni ,
Ignacio Fdez Galván ,
Ali Alavi,
Flavia Aleotti ,
Francesco Aquilante ,
Jochen Autschbach ,
Davide Avagliano ,
Alberto Baiardi ,
Jie J. Bao ,
Stefano Battaglia ,
Letitia Birnoschi,
Alejandro Blanco-González ,
Sergey I. Bokarev ,
Ria Broer ,
Roberto Cacciari
and 93 other authors
,
Ignacio Fdez Galván ,
Ali Alavi,
Flavia Aleotti ,
Francesco Aquilante ,
Jochen Autschbach ,
Davide Avagliano ,
Alberto Baiardi ,
Jie J. Bao ,
Stefano Battaglia ,
Letitia Birnoschi,
Alejandro Blanco-González ,
Sergey I. Bokarev ,
Ria Broer ,
Roberto Cacciari
and 93 other authors
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
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Kais Dhbaibi ,
Pierpaolo Morgante ,
Nicolas Vanthuyne ,
Jochen Autschbach ,
Ludovic Favereau ,
Jeanne Crassous
Download from pubs.acs.org
,
Pierpaolo Morgante ,
Nicolas Vanthuyne ,
Jochen Autschbach ,
Ludovic Favereau ,
Jeanne Crassous
Download from pubs.acs.org
2021
Kais Dhbaibi ,
Laura Abella ,
Sylvia Meunier-Della-Gatta,
Thierry Roisnel ,
Nicolas Vanthuyne,
Bassem Jamoussi,
Grégory Pieters,
Benoît Racine,
Etienne Quesnel,
Jochen Autschbach ,
Jeanne Crassous ,
Ludovic Favereau
Download from doi.org
,
Laura Abella ,
Sylvia Meunier-Della-Gatta,
Thierry Roisnel ,
Nicolas Vanthuyne,
Bassem Jamoussi,
Grégory Pieters,
Benoît Racine,
Etienne Quesnel,
Jochen Autschbach ,
Jeanne Crassous ,
Ludovic Favereau
Download from doi.org
2020
E. Aprà ,
E. J. Bylaska ,
W. A. de Jong ,
N. Govind ,
K. Kowalski ,
T. P. Straatsma ,
M. Valiev ,
H. J. J. van Dam,
Y. Alexeev ,
J. Anchell,
V. Anisimov,
F. W. Aquino,
R. Atta-Fynn,
J. Autschbach ,
N. P. Bauman
and 99 other authors
,
E. J. Bylaska ,
W. A. de Jong ,
N. Govind ,
K. Kowalski ,
T. P. Straatsma ,
M. Valiev ,
H. J. J. van Dam,
Y. Alexeev ,
J. Anchell,
V. Anisimov,
F. W. Aquino,
R. Atta-Fynn,
J. Autschbach ,
N. P. Bauman
and 99 other authors
NWChem: Past, present, and future
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Kais Dhbaibi ,
Ludovic Favereau ,
Monika Srebro-Hooper ,
Cassandre Quinton ,
Nicolas Vanthuyne ,
Lorenzo Arrico,
Thierry Roisnel ,
Bassem Jamoussi ,
Cyril Poriel ,
Clément Cabanetos ,
Jochen Autschbach ,
Jeanne Crassous
Download from pubs.rsc.org
,
Ludovic Favereau ,
Monika Srebro-Hooper ,
Cassandre Quinton ,
Nicolas Vanthuyne ,
Lorenzo Arrico,
Thierry Roisnel ,
Bassem Jamoussi ,
Cyril Poriel ,
Clément Cabanetos ,
Jochen Autschbach ,
Jeanne Crassous
Download from pubs.rsc.org
2019
Daniel P. Miller ,
Adam Phillips ,
Herbert Ludowieg,
Sarah Swihart,
Jochen Autschbach ,
Eva Zurek
,
Adam Phillips ,
Herbert Ludowieg,
Sarah Swihart,
Jochen Autschbach ,
Eva Zurek
The Computational Design of Two-Dimensional Materials
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2018
Kais Dhbaibi ,
Ludovic Favereau ,
Monika Srebro-Hooper ,
Marion Jean ,
Nicolas Vanthuyne ,
Francesco Zinna ,
Bassem Jamoussi,
Lorenzo Di Bari ,
Jochen Autschbach ,
Jeanne Crassous
Download from doi.org
,
Ludovic Favereau ,
Monika Srebro-Hooper ,
Marion Jean ,
Nicolas Vanthuyne ,
Francesco Zinna ,
Bassem Jamoussi,
Lorenzo Di Bari ,
Jochen Autschbach ,
Jeanne Crassous
Download from doi.org
2017
Jeffrey D. Martell,
Leo B. Porter-Zasada,
Alexander C. Forse ,
Rebecca L. Siegelman ,
Miguel I. Gonzalez,
Julia Oktawiec,
Tomče Runčevski,
Jiawei Xu,
Monika Srebro-Hooper ,
Phillip J. Milner,
Kristen A. Colwell,
Jochen Autschbach ,
Jeffrey A. Reimer,
Jeffrey R. Long
,
Rebecca L. Siegelman ,
Miguel I. Gonzalez,
Julia Oktawiec,
Tomče Runčevski,
Jiawei Xu,
Monika Srebro-Hooper ,
Phillip J. Milner,
Kristen A. Colwell,
Jochen Autschbach ,
Jeffrey A. Reimer,
Jeffrey R. Long
Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal–Organic Framework
Download from cloudfront.escholarship.org
Nora Hellou,
Monika Srebro-Hooper ,
Ludovic Favereau,
Francesco Zinna,
Elsa Caytan ,
Loïc Toupet,
Vincent Dorcet,
Marion Jean,
Nicolas Vanthuyne,
J. A. Gareth Williams,
J. A. Gareth Williams,
Lorenzo Di Bari,
Jochen Autschbach ,
Jeanne Crassous
Download from doi.org
,
Ludovic Favereau,
Francesco Zinna,
Elsa Caytan ,
Loïc Toupet,
Vincent Dorcet,
Marion Jean,
Nicolas Vanthuyne,
J. A. Gareth Williams,
J. A. Gareth Williams,
Lorenzo Di Bari,
Jochen Autschbach ,
Jeanne Crassous
Download from doi.org
2016
M. A. Silver,
S. K. Cary,
J. A. Johnson,
R. E. Baumbach,
A. A. Arico,
M. Luckey,
M. Urban,
J. C. Wang,
M. J. Polinski,
A. Chemey,
G. Liu,
K.-W. Chen,
S. M. Van Cleve,
M. L. Marsh,
T. M. Eaton
and 12 other authors
Characterization of berkelium(III) dipicolinate and borate compounds in solution and the solid state
Download from science.sciencemag.org
Andrew M. Mounce,
Hiroshi Yasuoka,
Georgios Koutroulakis,
Jeongseop A. Lee,
Herman Cho,
Frédéric Gendron,
Eva Zurek ,
Brian L. Scott,
Julie A. Trujillo,
Alice K. Slemmons,
Justin N. Cross,
Joe D. Thompson,
Stosh A. Kozimor,
Eric D. Bauer,
Jochen Autschbach
and 1 other authors
,
Brian L. Scott,
Julie A. Trujillo,
Alice K. Slemmons,
Justin N. Cross,
Joe D. Thompson,
Stosh A. Kozimor,
Eric D. Bauer,
Jochen Autschbach
and 1 other authors
Nuclear Magnetic Resonance Measurements and Electronic Structure of Pu(IV) in [(Me)4N]2PuCl6
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