Hydrogen Bond

New potent 5-nitrofuryl derivatives as inhibitors of Trypanosoma cruzi growth. 3D-QSAR (CoMFA) studies

Organic Chemistry / Mass Spectrometry / Modeling / Prediction / Magnetic Resonance Spectroscopy / Growth / QSAR / Animals / Quantitative Structure Activity Relationship / Hydrogen Bond / European / Trypanosoma Cruzi / Molecular Model / Three Dimensional / Trypanocidal Agents / Quntitative Thin Layer Chromatography / Chemical Synthesis / Growth / QSAR / Animals / Quantitative Structure Activity Relationship / Hydrogen Bond / European / Trypanosoma Cruzi / Molecular Model / Three Dimensional / Trypanocidal Agents / Quntitative Thin Layer Chromatography / Chemical Synthesis

Overtone spectra of aniline derivatives

Analytical Chemistry / Hydrogen / Carbon / Nitrogen / Spectrophotometry / Hydrogen Bond / Hydrogen Bonding / Charge Density / aniline Compounds / Hydrogen Bond / Hydrogen Bonding / Charge Density / aniline Compounds

Structural studies of 4-aryloctahydro-pyrido[1,2-c]pyrimidine derivatives

Molecular / Crystal structure / Hydrogen Bond / X ray diffraction / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Molecular Structure / Magic Angle Spinning / Molecular Structure / Magic Angle Spinning

EDITORIAL: Special issue: CAMOP MOLEC XVI

Czech Republic / Complex System / Mathematical Sciences / Physical sciences / Low Energy Buildngs / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation

Special issue: CAMOP–MOLEC XVI

Czech Republic / Complex System / Mathematical Sciences / Physical sciences / Low Energy Buildngs / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation

Photophysical properties of novel [1,2,3]triazolo[4,5-d] pyridazine derivatives

Engineering / Biological Sciences / Fluorescence Lifetime / Hydrogen Bond / CHEMICAL SCIENCES / Excited states / Fluorescence quenching / Excited states / Fluorescence quenching

A synthetic molecular pentafoil knot

Supramolecular Chemistry / Mass Spectrometry / Self Assembly / NMR Spectroscopy / Magnetic Resonance Spectroscopy / Macromolecular X-Ray Crystallography / DNA / Higher Order Thinking / Amines / Iron / Hydrogen Bond / CHEMICAL SCIENCES / Pyridines / X Ray Crystallography / Chemical Synthesis / Ligands / Molecular Structure / Macromolecular X-Ray Crystallography / DNA / Higher Order Thinking / Amines / Iron / Hydrogen Bond / CHEMICAL SCIENCES / Pyridines / X Ray Crystallography / Chemical Synthesis / Ligands / Molecular Structure

Computer-assisted design for paracetamol masking bitter taste prodrugs

Thermodynamics / Computer Aided Design / Molecular modeling / DFT calculation / Electron Transfer / Drug Design / Proton Transfer / Taste / Enzyme / Hydrogen Bond / Hydrogen Bonding / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Acetaminophen / Computer-assisted instructional design / Reaction Rate / Kinetic Parameter / Drug Design / Proton Transfer / Taste / Enzyme / Hydrogen Bond / Hydrogen Bonding / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Acetaminophen / Computer-assisted instructional design / Reaction Rate / Kinetic Parameter

Piperidine–CO2–H2O molecular complex

Crystal structure / Hydrogen Bond / X ray diffraction / Room Temperature / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Molecular Structure

Assembly of protein structure from sparse experimental data: An efficient Monte Carlo model

Algorithms / Protein Folding / Monte Carlo / Membrane proteins: Structure and Function / Biological Sciences / Computer Simulation / Mathematical Sciences / Long Range / Protein structure / Proteins / Hydrogen Bond / Secondary Structure / Protein Secondary Structure Prediction / Protein Conformation / Experimental Data / Force Field Analysis / Center of Mass / Monte Carlo Method / Computer Simulation / Mathematical Sciences / Long Range / Protein structure / Proteins / Hydrogen Bond / Secondary Structure / Protein Secondary Structure Prediction / Protein Conformation / Experimental Data / Force Field Analysis / Center of Mass / Monte Carlo Method

RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case

Thermodynamics / RNA / Nuclear Magnetic Resonance / Magnetic Resonance Spectroscopy / Molecular Dynamics / Nmr Structure / Hydrogen Bond / Hydrogen Bonding / Model System / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Data Consistency / MD Simulation / Force Field Analysis / Nuclear Overhauser Effect / Coupling Constant / Nmr Structure / Hydrogen Bond / Hydrogen Bonding / Model System / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Data Consistency / MD Simulation / Force Field Analysis / Nuclear Overhauser Effect / Coupling Constant

RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case

Thermodynamics / RNA / Nuclear Magnetic Resonance / Magnetic Resonance Spectroscopy / Molecular Dynamics / Nmr Structure / Hydrogen Bond / Hydrogen Bonding / Model System / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Data Consistency / MD Simulation / Force Field Analysis / Nuclear Overhauser Effect / Coupling Constant / Nmr Structure / Hydrogen Bond / Hydrogen Bonding / Model System / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Data Consistency / MD Simulation / Force Field Analysis / Nuclear Overhauser Effect / Coupling Constant

Structure of an oligonucleotide containing a N-(2-deoxy-β-D-erythro-pentofuranosyl)formamide residue facing a guanine

Nuclear Magnetic Resonance / Magnetic Resonance Spectroscopy / Molecular modeling / Hydrogen Bond / Biochimie / Ionizing Radiation / Oxidative Dna Damage / Conformational Change / Nucleic Acid Conformation / Oligonucleotides / Biochemistry and cell biology / Ionizing Radiation / Oxidative Dna Damage / Conformational Change / Nucleic Acid Conformation / Oligonucleotides / Biochemistry and cell biology

Crystal structures, spectral and magnetic properties of cobalt(II) pyridinecarboxylates: A novel polymeric chain in {[{2,6-(MeO)2nic}2(H2O)2Co(μ-H2O)Co(H2O)4(μ-H2O)]{2,6-(MeO)2nic}2·6H2O}n

Inorganic Chemistry / Crystal structure / Electronic Spectra / Magnetic Properties / Hydrogen Bond / Infrared

Structure of a rearrangement product: 1-methyl-3-(5-amino-1-benzylimidazol-4-yl)-1,2,4-triazole, C13H14N6

Nitrogen / Hydrogen Bond / X ray diffraction / Hydrogen Atom / Crystalline Structure / Molecular Structure / Direct Method / Molecular Structure / Direct Method

Three New 1D Polymeric Zinc(II) and Cadmium(II) Azido Complexes Containing Noncoordinated Pyridine- N -oxide or 3-Picoline- N -oxide

X Rays / Zinc / Hydrogen Bond / CHEMICAL SCIENCES / Single Crystal / IR Spectroscopy

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