Ab Initio

Results: 339



#Item
71Turbomole Program Package for ab initio Electronic Structure Calculations USER’S MANUAL

Turbomole Program Package for ab initio Electronic Structure Calculations USER’S MANUAL

Add to Reading List

Source URL: www.turbomole-gmbh.com

Language: English - Date: 2013-11-09 15:44:58
    72First Principles Ab Initio Multiple Spawning Dynamics of Electronically Excited trans-1,3-Butadiene with Wavefunction and Density Functional Theory

    First Principles Ab Initio Multiple Spawning Dynamics of Electronically Excited trans-1,3-Butadiene with Wavefunction and Density Functional Theory

    Add to Reading List

    Source URL: www.ccp6.ac.uk

    Language: English - Date: 2006-07-05 12:40:34
      73ON ab initio THEORY OF NUCLEAR PAIRING . E.E. Saperstein, Kurchatov Institute, 123182, Moscow, Russia

      ON ab initio THEORY OF NUCLEAR PAIRING . E.E. Saperstein, Kurchatov Institute, 123182, Moscow, Russia

      Add to Reading List

      Source URL: migdal100.itp.ac.ru

      Language: English - Date: 2011-07-09 07:40:00
        74Member of the Helmholtz Association Hydrogen isotope retention and release in beryllium: The full picture from experiment and ab initio calculations

        Member of the Helmholtz Association Hydrogen isotope retention and release in beryllium: The full picture from experiment and ab initio calculations

        Add to Reading List

        Source URL: www-amdis.iaea.org

        Language: English - Date: 2014-11-17 09:12:31
          75OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capability Nikhil Jain† , Eric Bohm† , Eric Mikida† , Subhasish Mandal§ , Minjung Kim§ , Prateek Jindal† , Qi Li? , Sohrab Ismail-Beigi§ , Glenn J.

          OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capability Nikhil Jain† , Eric Bohm† , Eric Mikida† , Subhasish Mandal§ , Minjung Kim§ , Prateek Jindal† , Qi Li? , Sohrab Ismail-Beigi§ , Glenn J.

          Add to Reading List

          Source URL: charm.cs.illinois.edu

          Language: English - Date: 2016-03-06 18:26:24
          76A COMBINED APPROACH FOR AB INITIO CONSTRUCTION OF LOW RESOLUTION PROTEIN TERTIARY STRUCTURES FROM SEQUENCE RAM SAMUDRALA a, YU XIA, MICHAEL LEVITT Department of Structural Biology, Stanford University School of Medicine

          A COMBINED APPROACH FOR AB INITIO CONSTRUCTION OF LOW RESOLUTION PROTEIN TERTIARY STRUCTURES FROM SEQUENCE RAM SAMUDRALA a, YU XIA, MICHAEL LEVITT Department of Structural Biology, Stanford University School of Medicine

          Add to Reading List

          Source URL: people.bu.edu

          Language: English - Date: 2001-07-25 07:56:20
            77Ab Initio Identification of Novel Regulatory Elements in the Genome of Trypanosoma brucei by Bayesian Inference on Sequence Segmentation Steven Kelly1,2,3*, Bill Wickstead4,5, Philip K. Maini2,3, Keith Gull3,4 1 Departme

            Ab Initio Identification of Novel Regulatory Elements in the Genome of Trypanosoma brucei by Bayesian Inference on Sequence Segmentation Steven Kelly1,2,3*, Bill Wickstead4,5, Philip K. Maini2,3, Keith Gull3,4 1 Departme

            Add to Reading List

            Source URL: www.stevekelly.eu

            Language: English - Date: 2011-12-02 12:51:21
              78doi:jmbiavailable online at http://www.idealibrary.com on J. Mol. Biol, 171±185 Ab Initio Construction of Protein Tertiary Structures Using a Hierarchical Approach

              doi:jmbiavailable online at http://www.idealibrary.com on J. Mol. Biol, 171±185 Ab Initio Construction of Protein Tertiary Structures Using a Hierarchical Approach

              Add to Reading List

              Source URL: people.bu.edu

              Language: English - Date: 2001-07-25 07:56:26
                7977 Genome Informatics 17(2): 77{Development of an Approach for Ab Initio Estimation of Compound-Induced Liver Injury Based on Global Gene

                77 Genome Informatics 17(2): 77{Development of an Approach for Ab Initio Estimation of Compound-Induced Liver Injury Based on Global Gene

                Add to Reading List

                Source URL: www.jsbi.org

                Language: English - Date: 2007-01-19 01:27:50
                  80PROTEINS: Structure, Function, and Genetics Suppl 3:194–Ab Initio Protein Structure Prediction Using a Combined Hierarchical Approach Ram Samudrala,1* Yu Xia,1 Enoch Huang,2 and Michael Levitt1 of Structura

                  PROTEINS: Structure, Function, and Genetics Suppl 3:194–Ab Initio Protein Structure Prediction Using a Combined Hierarchical Approach Ram Samudrala,1* Yu Xia,1 Enoch Huang,2 and Michael Levitt1 of Structura

                  Add to Reading List

                  Source URL: people.bu.edu

                  Language: English - Date: 2001-07-25 07:56:07