نتایج جستجو برای: 1 mm

تعداد نتایج: 2858705  

Journal: :Astronomy & Astrophysics 2006

Journal: :RSC theoretical and computational chemistry series 2021

This chapter describes the theoretical background of quantum mechanical/molecular mechanical (QM/MM) implementation in deMon2k within framework auxiliary density functional theory (ADFT). It aims to give reader an overview current state art this QM/MM and perspectives for its future development. To end, we first derive ADFT working equations QM energy gradient expressions. Based on joint expres...

2009
Walter Thiel

c © 2009 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...

2007
G. M. Seabra J. Torras R. C. Walker A. Roitberg Ulrich H. E. Hansmann Jan Meinke Sandipan Mohanty Olav Zimmermann Gustavo de M. Seabra Juan Torras Ross C. Walker Adrian Roitberg

c © 2007 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...

2007
Ives Rene Venturini Pola Caetano Traina Agma J. M. Traina

Journal: :AJNR. American journal of neuroradiology 2008
P M Phal L P Riccelli P Wang G M Nesbit J C Anderson

BACKGROUND AND PURPOSE Multidetector CT imaging of the cervical spine performed with submillimeter collimation allows for the production of excellent quality multiplanar reformations and reconstructed axial images at any chosen section thickness. Currently there is no consensus on what images need to be reviewed for accurate diagnosis of cervical spine fractures. Our study assesses whether 1-mm...

Journal: :Nuclear Instruments and Methods 1977

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