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T

Thomas Müller

Texas Tech University

32H指数
87论文数
4.7K被引数
收录论文 14
发表时间
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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-13
err815
errOAAI
errBalasubramani, Sree Ganesh; Chen, Guo P.; Coriani, Sonia; Diedenhofen, Michael; Frank, Marius S.; Franzke, Yannick J.; Furche, Filipp; Grotjahn, Robin; Harding, Michael E.; Haettig, Christof; Hellweg, Arnim; Helmich-Paris, Benjamin; Holzer, Christof; Huniar, Uwe; Kaupp, Martin; Khah, Alireza Marefat; Khani, Sarah Karbalaei; Mueller, Thomas; Mack, Fabian; Nguyen, Brian D.; Parker, Shane M.; Perlt, Eva; Rappoport, Dmitrij; Reiter, Kevin; Roy, Saswata; Rueckert, Matthias; Schmitz, Gunnar; Sierka, Marek; Tapavicza, Enrico; Tew, David P.; van Wuellen, Christoph; Voora, Vamsee K.; Weigend, Florian; Wodynski, Artur; Yu, Jason M.
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The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-04-06
err62
errOAAI
errLischka, Hans; Shepard, Ron; Mueller, Thomas; Szalay, Peter G.; Pitzer, Russell M.; Aquino, Adelia J. A.; Araujo do Nascimento, Mayzza M.; Barbatti, Mario; Belcher, Lachlan T.; Blaudeau, Jean-Philippe; Borges, Itamer; Brozell, Scott R.; Carter, Emily A.; Das, Anita; Gidofalvi, Gergely; Gonzalez, Leticia; Hase, William L.; Kedziora, Gary; Kertesz, Miklos; Kossoski, Fabris; Machado, Francisco B. C.; Matsika, Spiridoula; do Monte, Silmar A.; Nachtigallova, Dana; Nieman, Reed; Oppel, Markus; Parish, Carol A.; Plasser, Felix; Spada, Rene F. K.; Stahlberg, Eric A.; Ventura, Elizete; Yarkony, David R.; Zhang, Zhiyong
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Local Electron Correlation Treatment in Extended Multireference Calculations: Effect of Acceptor-Donor Substituents on the Biradical Character of the Polycyclic Aromatic Hydrocarbon Heptazethrene
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-05-02
err16
errOAAI
errDas, Anita; Mueller, Thomas; Plasser, Felix; Krisiloff, David B.; Carter, Emily A.; Lischka, Hans
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Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-08-18
err41
errOAAI
errMai, Sebastian; Mueller, Thomas; Plasser, Felix; Marquetand, Philipp; Lischka, Hans; Gonzalez, Leticia
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The Multiradical Character of One- and Two-Dimensional Graphene Nanoribbons
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2013-01-28
err206
errOAAI
errPlasser, Felix; Pasalic, Hasan; Gerzabek, Martin H.; Libisch, Florian; Reiter, Rafael; Burgdoerfer, Joachim; Mueller, Thomas; Shepard, Ron; Lischka, Hans
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Strikingly Different Effects of Hydrogen Bonding on the Photodynamics of Individual Nucleobases in DNA: Comparison of Guanine and Cytosine
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2012-08-14
err35
PREAI
errZeleny, Tomas; Ruckenbauer, Matthias; Aquino, Adelia J. A.; Mueller, Thomas; Lankas, Filip; Drsata, Tomas; Hase, William L.; Nachtigallova, Dana; Lischka, Hans
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COLUMBUS-a program system for advanced multireference theory calculations
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2011-01-21
err206
PREAI
errLischka, Hans; Mueller, Thomas; Szalay, Peter G.; Shavitt, Isaiah; Pitzer, Russell M.; Shepard, Ron
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Does Stacking Restrain the Photodynamics of Individual Nucleobases?
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2010-06-01
err61
PREAI
errNachtigallova, Dana; Zeleny, Tomas; Ruckenbauer, Matthias; Mueller, Thomas; Barbatti, Mario; Hobza, Pavel; Lischka, Hans
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A comparison of sulfur mustard and heptane penetrating a dipalmitoylphosphatidylcholine bilayer membrane
errJOURNAL OF HAZARDOUS MATERIALS
IF11.3
err2009-08-30
err9
PREAI
errMueller, Thomas J.; Mueller-Plathe, Florian
err分享
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The influence of thermostats and manostats on reverse nonequilibrium molecular dynamics calculations of fluid viscosities
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-07-01
err15
PREAI
errMueller, Thomas J.; Al-Samman, Michael; Mueller-Plathe, Florian
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On the ground and some low-lying excited states of ScB:: A multiconfigurational study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-06-07
err9
errOAAI
errCernusak, Ivan; Dallos, Michal; Lischka, Hans; Mueller, Thomas; Uhlar, Milan
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Geometry optimization of excited valence states of formaldehyde using analytical multireference configuration interaction singles and doubles and multireference averaged quadratic coupled-cluster gradients, and the conical intersection formed by the 1 1B1(σ-π*) and 2 1A1(π-π*) states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2001-01-08
err46
PREAI
errDallos, M; Müller, T; Lischka, H; Shepard, R
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The ethylene 1 1B1u V state revisited
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err1999-04-15
err91
PREAI
errMüller, T; Dallos, M; Lischka, H
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IR spectroscopic identification of electron attachment products of CCl4 in solid argon
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err1997-12-01
err6
PREAI
errRichter, A; Meyer, H; Muller, T; Specht, H; Schweig, AM
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研究方向

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合作学者
合作期刊
P
Pavel Hobza
H 指数: 115 · 论文数: 704
E
Emily A. Carter
H 指数: 102 · 论文数: 718
M
Martin Kaupp
H 指数: 76 · 论文数: 758
W
William L. Hase
H 指数: 74 · 论文数: 510
H
Hans Lischka
H 指数: 74 · 论文数: 444
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