نتایج جستجو برای: theoretical chemistry

تعداد نتایج: 397520  

2018
Stefan Hammer Yann Ponty Wei Wang Sebastian Will

University Leipzig, Department of Computer Science and Interdisciplinary Center for Bioinformatics, 04107 Leipzig, Germany; University of Vienna, Faculty of Chemistry, Department of Theoretical Chemistry, 1090 Vienna, Austria; University of Vienna, Faculty of Computer Science, Research Group Bioinformatics and Computational Biology, 1090 Vienna, Austria; CNRS UMR 7161 LIX, Ecole Polytechnique, ...

2017
Qian Wang Michael R. Diehl Biman Jana Margaret S. Cheung Anatoly B. Kolomeisky José N. Onuchic

a. Center for Theoretical Biological Physics, Rice University, Houston TX, 77005 b. Departments of Bioengineering, Rice University, Houston, TX, 77030 c. Departments of Chemistry, Rice University, Houston, TX, 77030 d. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata -700032, India e. Department of Physics, University of Houston, Houston TX,...

2017
Wenkai Zhang Kasper S. Kjær Roberto Alonso-Mori Uwe Bergmann Matthieu Chollet Lisa A. Fredin Ryan G. Hadt Robert W. Hartsock Tobias Harlang Thomas Kroll Katharina Kubiček Henrik T. Lemke Huiyang W. Liang Yizhu Liu Martin M. Nielsen Petter Persson Joseph S. Robinson Edward I. Solomon Zheng Sun Dimosthenis Sokaras Tim B. van Driel Tsu-Chien Weng Diling Zhu Kenneth Wärnmark Villy Sundström Kelly J. Gaffney

PULSE Institute, SLAC National Accelerato Park, California 94025, USA. E-mail: kaspe edu Department of Chemical Physics, Lund Univ Centre for Molecular Movies, Department of DK-2800, Lyngby, Denmark LCLS, SLAC National Accelerator Laborato Theoretical Chemistry Division, Lund Unive Department of Chemistry, Stanford Univers Max Planck Institute for Biophysical Chem SSRL, SLAC National Accelerato...

2012
ALEXANDER MOROZOV EKATERINA PRONINA ANATOLY KOLOMEISKY MAXIM ARTYOMOV Anatoly Kolomeisky

Submitted for the MAR07 Meeting of The American Physical Society Exact Solutions of Burnt-Bridge Models for Molecular Motor Transport ALEXANDER MOROZOV, EKATERINA PRONINA, ANATOLY KOLOMEISKY, Department of Chemistry, Rice University, MAXIM ARTYOMOV, Department of Chemistry, MIT — Transport of molecular motors, stimulated by interactions with specific links between consecutive binding sites (cal...

Journal: :Chemical communications 2014
M B Geeson A R Jupp J E McGrady J M Goicoechea

We describe the coordination chemistry of the primary phosphine PH2C(O)NH2 (phosphinecarboxamide) towards group 6 transition-metals. Experimental and theoretical studies reveal that this novel species has comparable electronic properties to PH3.

2011
Tibor Soós

After a short introduction to place our work in a proper context, this account summarizes our theoretical and synthetic results in the field of frustrated Lewis pair (FLP) chemistry.

2012
Geoffrey A. Blake

For the most part, gas phase models of the chemistry of dense molecular clouds predict the abundances of simple species rather well. However, for larger molecules and even for small systems rich in carbon these models often fail spectacularly. We present a brief review of the basic assumptions and results of large scale modeling of the chemistry in dense molecular clouds. Particular attention w...

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