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THEORETICAL AND COMPUTATIONAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Classifying Molecules Using a Sparse Probabilistic Kernel Binary Classifier
Algorithms / Computational Biology / Drug Discovery / Enzyme Inhibitors / THEORETICAL AND COMPUTATIONAL CHEMISTRY
Inside a Superatom: The M7q (M=Cu, Ag, q=1+, 0, 1−) Case
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Efficient Energy Transfer and Electron Transfer in an Artificial Photosynthetic Antenna−Reaction Center Complex †
Electron Transfer / The / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Energy Transfer
Unusually Slow Intermolecular Proton-Deuteron Exchange in Porphycene
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Ab Initio Quantum Chemical Investigation of Intramolecular Magnetic Interaction in Some Diradical Derivatives of Imino Nitroxide and Nitronyl Nitroxide
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Interspecies collision-induced losses in a dual species 7 Li– 85 Rb magneto-optical trap
Optical physics / THEORETICAL AND COMPUTATIONAL CHEMISTRY
Energy Transfer from Dye–Zeolite L Antenna Crystals to Bulk Silicon
THEORETICAL AND COMPUTATIONAL CHEMISTRY / Energy Transfer
Comparison of atomic charges derived via different procedures
Computational Chemistry / THEORETICAL AND COMPUTATIONAL CHEMISTRY
Intramolecular Interactions in Diiodonaphthalenes
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Proton-induced damage on 2-aminooxazole, a potential prebiotic compound
THEORETICAL AND COMPUTATIONAL CHEMISTRY
An integral direct, distributed-data, parallel MP2 algorithm
Distributed Data Mining / Second Order / Parallel Algorithm / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Parallel Computer / Indexation
Probing Potential Energy Surface Exploration Strategies for Complex Systems
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Hydrogen Transfer vs Proton Transfer in 7-Hydroxy-quinoline·(NH 3 ) 3 : A CASSCF/CASPT2 Study
Hydrogen / Proton Transfer / The / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Molecular Structure
Low-energy unphysical saddle in polynomial molecular potentials
Molecular Physics / THEORETICAL AND COMPUTATIONAL CHEMISTRY
Scientometrics 89 2011 607TT
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Free Energy Profiles along Consensus Normal Modes Provide Insight into HIV-1 Protease Flap Opening
Chemical / THEORETICAL AND COMPUTATIONAL CHEMISTRY
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