Journals in DBLP
George A. Kaminski , Richard A. Friesner , Ruhong Zhou A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations. [Citation Graph (0, 0)][DBLP ] Journal ] Genyuan Li , Herschel Rabitz , Sheng-Wei Wang , Panos G. Georgopoulos Correlation method for variance reduction of Monte Carlo integration in RS-HDMR. [Citation Graph (0, 0)][DBLP ] Journal ] Carles Curutchet , Christopher J. Cramer , Donald G. Truhlar , Manuel F. Ruiz-López , Daniel Rinaldi , Modesto Orozco , F. Javier Luque Electrostatic component of solvation: Comparison of SCRF continuum models. [Citation Graph (0, 0)][DBLP ] Journal ] Christopher S. Page , Massimo Olivucci Ground and excited state CASPT2 geometry optimizations of small organic molecules. [Citation Graph (0, 0)][DBLP ] Journal ] Kazuyoshi Ikeda , Oxana V. Galzitskaya , Haruki Nakamura , Junichi Higo beta-Hairpins, alpha-helices, and the intermediates among the secondary structures in the energy landscape of a peptide from a distal beta-hairpin of SH3 domain. [Citation Graph (0, 0)][DBLP ] Journal ] Takashi Yoshida , Kazuhisa Sakakibara , Masatoshi Asami , Kuo-Hsiang Chen , Jenn-Huei Lii , Norman L. Allinger Molecular mechanics (MM3) calculations on lithium amide compounds. [Citation Graph (0, 0)][DBLP ] Journal ] Alicia C. Lorenzo , Pedro G. Pascutti , Paulo Mascarello Bisch Nonspecific interaction forces at water-membrane interface by forced molecular dynamics simulations. [Citation Graph (0, 0)][DBLP ] Journal ] Zheng-Wang Qu , Hui Zhu , Xing-Kang Zhang , Qi-Yuan Zhang Density functional investigation on electron-transfer catalysis of cycloreversion of cyclobutane: Radical anion mechanism. [Citation Graph (0, 0)][DBLP ] Journal ] Jinshan Li , Feng Zhao , Fuqian Jing An ab initio study of intermolecular interactions of nitromethane dimer and nitromethane trimer. [Citation Graph (0, 0)][DBLP ] Journal ] Andrew J. Bordner , G. A. Huber Boundary element solution of the linear Poisson-Boltzmann equation and a multipole method for the rapid calculation of forces on macromolecules in solution. [Citation Graph (0, 0)][DBLP ] Journal ] Jaroslav Koca , Chang-Guo Zhan , Robert C. Rittenhouse , Rick L. Ornstein Coordination number of zinc ions in the phosphotriesterase active site by molecular dynamics and quantum mechanics. [Citation Graph (0, 0)][DBLP ] Journal ] Yi-Gui Wang , Nick Henry Werstiuk A practical and efficient method to calculate AIM localization and delocalization indices at post-HF levels of theory. [Citation Graph (0, 0)][DBLP ] Journal ] Christofer S. Tautermann , Andreas F. Voegele , Thomas Loerting , Peter Kaps , Klaus R. Liedl Extended method for adiabatic mode reordering. [Citation Graph (0, 0)][DBLP ] Journal ] Asit K. Chandra , Tadafumi Uchimaru , Masaaki Sugie , Akira Sekiya Ab initio study on the structures of fluorinated formates and hydrogen abstraction reaction with OH radical. [Citation Graph (0, 0)][DBLP ] Journal ] 