Journals in DBLP
Li Yang , Ji-Kang Feng , Ai-Min Ren Theoretical studies on the electronic and optical properties of two new alternating fluorene/carbazole copolymers. [Citation Graph (0, 0)][DBLP ] Journal ] Chang-Guo Zhan , Shi-Xian Deng , Jaime G. Skiba , Beth A. Hayes , Sarah M. Tschampel , George C. Shields , Donald W. Landry First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine. [Citation Graph (0, 0)][DBLP ] Journal ] Toru Inaba , Saisei Tahara , Nobutaka Nisikawa , Hiroshi Kashiwagi , Fumitoshi Sato All-electron density functional calculation on insulin with quasi-canonical localized orbitals. [Citation Graph (0, 0)][DBLP ] Journal ] Ying Xue , Chan Kyung Kim , Yong Guo , Dai Qian Xie , Guo Sen Yan DFT study and Monte Carlo simulation on proton transfers of 2-amino-2-oxazoline, 2-amino-2-thiazoline, and 2-amino-2-imidazoline in the gas phase and in water. [Citation Graph (0, 0)][DBLP ] Journal ] G. Theodoor De Jong , Daan P. Geerke , Axel Diefenbach , Miquel Solà , F. Matthias Bickelhaupt Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study. [Citation Graph (0, 0)][DBLP ] Journal ] Michael S. Crocker , Scott S. Hampton , Thierry Matthey , Jesús A. Izaguirre MDSIMAID: Automatic parameter optimization in fast electrostatic algorithms. [Citation Graph (0, 0)][DBLP ] Journal ] Hsien-Da Huang , Tzong-Yi Lee , Shih-Wei Tzeng , Li-Cheng Wu , Jorng-Tzong Horng , Ann-Ping Tsou , Kuan-Tsae Huang Incorporating hidden Markov models for identifying protein kinase-specific phosphorylation sites. [Citation Graph (0, 0)][DBLP ] Journal ] Stefano Borini , Daniel Maynau , Stefano Evangelisti A combined freeze-and-cut strategy for the description of large molecular systems using a localized orbitals approach. [Citation Graph (0, 0)][DBLP ] Journal ] Jean-Philip Piquemal , Antonio Marquez , Olivier Parisel , Claude Giessner-Prettre A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contribution. [Citation Graph (0, 0)][DBLP ] Journal ] Jerod Parsons , J. Bradley Holmes , J. Maurice Rojas , Jerry Tsai , Charlie E. M. Strauss Practical conversion from torsion space to Cartesian space for in silico protein synthesis. [Citation Graph (0, 0)][DBLP ] Journal ] Lesley D. Lloyd , Roy L. Johnston , Said Salhi Strategies for increasing the efficiency of a genetic algorithm for the structural optimization of nanoalloy clusters. [Citation Graph (0, 0)][DBLP ] Journal ] Piotr Zarzycki , Pawe Szabelski , Robert Charmas Role of the surface heterogeneity in adsorption of hydrogen ions on metal oxides: Theory and simulations. [Citation Graph (0, 0)][DBLP ] Journal ] 