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The top documents of osamu-takahashi

Simple SCF method with spin-orbit interaction: SOSCF method
Simple SCF method with spin-orbit interaction: SOSCF method
223 views
Prevalence of the Alkyl/Phenyl-Folded Conformation in Benzylic Compounds C6H5CH2-X-R (X=O, CH2, CO, S, SO, SO2): Significance of the CH/π Interaction as Evidenced by High-Level Ab
Prevalence of the Alkyl/Phenyl-Folded Conformation in Benzylic Compounds C6H5CH2-X-R (X=O, CH2, CO, S, SO, SO2): Significance of the CH/π Interaction as Evidenced by High-Level Ab
212 views
ChemInform Abstract: In silico Approaches for Fragment-Based Drug Design
ChemInform Abstract: In silico Approaches for Fragment-Based Drug Design
213 views
ChemInform Abstract: Relevance of Weak Hydrogen Bonds in the Conformation of Organic Compounds and Bioconjugates: Evidence from Recent Experimental Data and High-Level ab initio MO
ChemInform Abstract: Relevance of Weak Hydrogen Bonds in the Conformation of Organic Compounds and Bioconjugates: Evidence from Recent Experimental Data and High-Level ab initio MO
214 views
The Conformation of Alkyl Benzyl Alcohols Studied by ab initio MO Calculations − A Comparison with IR and NMR Spectroscopic Data
The Conformation of Alkyl Benzyl Alcohols Studied by ab initio MO Calculations − A Comparison with IR and NMR Spectroscopic Data
218 views
Theoretical studies on the molecular dependence of bond dissociation after core excitations II: CH3CO(CH2)nCN, n = 0–3
Theoretical studies on the molecular dependence of bond dissociation after core excitations II: CH3CO(CH2)nCN, n = 0–3
212 views
Effect of butylated hydroxytoluene on the lipid composition of rat liver
Effect of butylated hydroxytoluene on the lipid composition of rat liver
216 views
Hemmorrhagic toxicity of d-α-tocopherol in the rat
Hemmorrhagic toxicity of d-α-tocopherol in the rat
220 views
The origin of the generalized anomeric effect: possibility of CH/n and CH/π hydrogen bonds
The origin of the generalized anomeric effect: possibility of CH/n and CH/π hydrogen bonds
218 views
Short-time maximum entropy method analysis of molecular dynamics simulation: Unimolecular decomposition of formic acid
Short-time maximum entropy method analysis of molecular dynamics simulation: Unimolecular decomposition of formic acid
213 views
Theoretical study of the X-ray absorption spectra of small formic acid clusters
Theoretical study of the X-ray absorption spectra of small formic acid clusters
214 views
Origin of the gauche preference of n-propyl halides and related molecules investigated by ab initio MO calculations: Importance of the CH/n hydrogen bond
Origin of the gauche preference of n-propyl halides and related molecules investigated by ab initio MO calculations: Importance of the CH/n hydrogen bond
216 views
Studies of the X-ray absorption spectra of some methylcyano esters
Studies of the X-ray absorption spectra of some methylcyano esters
217 views
The conformation of alkyl cyclohexanones and terpenic ketones. Interpretation for the ‘alkylketone effect’ based on the CH/π(CO) hydrogen bond
The conformation of alkyl cyclohexanones and terpenic ketones. Interpretation for the ‘alkylketone effect’ based on the CH/π(CO) hydrogen bond
212 views
Systematics of the gradient on the resonant core-hole state
Systematics of the gradient on the resonant core-hole state
216 views
Possibility of the magnetic field effect on the thermal decomposition of N2O: molecular dynamics simulation
Possibility of the magnetic field effect on the thermal decomposition of N2O: molecular dynamics simulation
219 views
Molecular orbital calculations of the substituent effect on intermolecular CH/π interaction in C2H3X–C6H6 complexes (X=H, F, Cl, Br, and OH)
Molecular orbital calculations of the substituent effect on intermolecular CH/π interaction in C2H3X–C6H6 complexes (X=H, F, Cl, Br, and OH)
213 views
Trifluoropropene oxide as a trifluoromethyl source. Preparation of optically active alcohols
Trifluoropropene oxide as a trifluoromethyl source. Preparation of optically active alcohols
214 views
Stereocontrol of a tertiary hydroxyl group via microbial epoxidation: A facile synthesis of prostaglandin ω-chains
Stereocontrol of a tertiary hydroxyl group via microbial epoxidation: A facile synthesis of prostaglandin ω-chains
213 views
A theoretical study of the bifurcation reaction II: acetic acid
A theoretical study of the bifurcation reaction II: acetic acid
217 views