Original Paper
Online First™Density functional study on the derivatives of purine
Wei-Jie Chi, Lu-Lin Li, Bu-Tong Li and Hai-Shun Wu
Online First™, 2 February 2012
Original Paper
Online First™Theoretical studies on the Mo-catalyzed asymmetric intramolecular Pauson-Khand-type [2 + 2 + 1] cycloadditions of 3-allyloxy-1-propynylphosphonates
Qingxi Meng and Ming Li
Online First™, 1 February 2012
Original Paper
Online First™Characteristics of beryllium bonds; a QTAIM study
K. Eskandari
Online First™, 27 January 2012
Original Paper
Online First™A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals
Gül Altınbaş Özpınar, Frank R. Beierlein, Wolfgang Peukert, Dirk Zahn and Timothy Clark
Online First™, 26 January 2012
Original Paper
Online First™Characterization of nitrogen-bridged 1,2,4,5-tetrazine-, furazan-, and 1H-tetrazole-based polyheterocyclic compounds: heats of formation, thermal stability, and detonation properties
Tao Wei, Jianzhang Wu, Weihua Zhu, Chenchen Zhang and Heming Xiao
Online First™, 26 January 2012
Original Paper
Online First™Open AccessDoes Al4H
14—
cluster anion exist? High-level ab initio study
Jerzy Moc
Online First™, 26 January 2012
Original Paper
Online First™Computational study on new natural polycyclic compounds of H1N1 influenza virus neuraminidase
Ye Wang, Di Wu, Dahai Yu, Zhiyong Wang and Li Tian, et al.
Online First™, 26 January 2012
Original Paper
Online First™Study of semiconducting nanomaterials under pressure
Dinesh C. Gupta and P. Rana
Online First™, 24 January 2012
Original Paper
Online First™In-silico modeling of a novel OXA-51 from β-lactam-resistant Acinetobacter baumannii and its interaction with various antibiotics
Vishvanath Tiwari, Isha Nagpal, Naidu Subbarao and Rajeswari R. Moganty
Online First™, 24 January 2012
Original Paper
Online First™Can trans-polyacetylene be formed on single-walled carbon-doped boron nitride nanotubes?
Ying Chen, Hong-xia Wang, Jing-xiang Zhao, Qing-hai Cai and Xiao-guang Wang, et al.
Online First™, 24 January 2012