Literature DB >> 14502731

The case for steric repulsion causing the staggered conformation of ethane.

F Matthias Bickelhaupt1, Evert Jan Baerends.   

Abstract

Entities:  

Year:  2003        PMID： 14502731     DOI： 10.1002/anie.200350947

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  28 in total

1.  NCIPLOT: a program for plotting non-covalent interaction regions.

Authors:  Julia Contreras-García; Erin R Johnson; Shahar Keinan; Robin Chaudret; Jean-Philip Piquemal; David N Beratan; Weitao Yang
Journal:  J Chem Theory Comput       Date:  2011-03-08       Impact factor: 6.006

2.  The power of hard-sphere models: explaining side-chain dihedral angle distributions of Thr and Val.

Authors:  Alice Qinhua Zhou; Corey S O'Hern; Lynne Regan
Journal:  Biophys J       Date:  2012-05-15       Impact factor: 4.033

3.  Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect.

Authors:  Yirong Mo
Journal:  Nat Chem       Date:  2010-07-04       Impact factor: 24.427

4.  Exploring the origin of the internal rotational barrier for molecules with one rotatable dihedral angle.

Authors:  Shubin Liu; Niranjan Govind; Lee G Pedersen
Journal:  J Chem Phys       Date:  2008-09-07       Impact factor: 3.488

5.  Torsional Control of Stereoselectivities in Electrophilic Additions and Cycloadditions to Alkenes.

Authors:  Hao Wang; K N Houk
Journal:  Chem Sci       Date:  2014-02       Impact factor: 9.825

6.  Driving torsion scans with wavefront propagation.

Authors:  Yudong Qiu; Daniel G A Smith; Chaya D Stern; Mudong Feng; Hyesu Jang; Lee-Ping Wang
Journal:  J Chem Phys       Date:  2020-06-28       Impact factor: 3.488

7.  Conformational behaviors of trans-2,3- and trans-2,5-dihalo-1,4-diselenanes. A complete basis set, hybrid-density functional theory study and natural bond orbital interpretations.

Authors:  Davood Nori-Shargh; Seiedeh Negar Mousavi; Hakan Kayi
Journal:  J Mol Model       Date:  2014-05-10       Impact factor: 1.810

8.  Natural bond orbital, nuclear magnetic resonance analysis and hybrid-density functional theory study of σ-aromaticity in Al₂F₆, Al₂Cl₆, Al₂Br₆ and Al₂I₆.

Authors:  Davood Nori-Shargh; Hooriye Yahyaei; Seiedeh Negar Mousavi; Akram Maasoomi; Hakan Kayi
Journal:  J Mol Model       Date:  2013-03-02       Impact factor: 1.810

9.  Polarized Molecular Orbital Model Chemistry 3. The PMO Method Extended to Organic Chemistry.

Authors:  Miho Isegawa; Luke Fiedler; Hannah R Leverentz; Yingjie Wang; Santhanamoorthi Nachimuthu; Jiali Gao; Donald G Truhlar
Journal:  J Chem Theory Comput       Date:  2013-01-08       Impact factor: 6.006

10.  HAAD: A quick algorithm for accurate prediction of hydrogen atoms in protein structures.

Authors:  Yunqi Li; Ambrish Roy; Yang Zhang
Journal:  PLoS One       Date:  2009-08-20       Impact factor: 3.240
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