位置：成果数据库 > 期刊 > 期刊详情页
Theoretical studies on the coupling interactions in H2SO4...HOO....(H2O)n (n = 0–2) clusters: toward
  • 时间：0
  • 相关项目：生物大分子分子识别与质能传递过程的理论研究
同期刊论文项目
生物大分子分子识别与质能传递过程的理论研究
期刊论文 87
同项目期刊论文
苯甲醛肟与炔丙醇偶极环加成反应的理论研究
Hetero-Ring-Expansion Design for Adenine-Based DNA Motifs: Evidence from DFT Calculations and Molecu
丝氨酸蛋白酶催化三聚体类似物中质子转移的理 论研究——低垒氢键在酶催化中存在的可能性及其意义
Metal Ions Regulate Radical Type and Proton-Coupled Electron Transfer Channel: σ-radical vs π-radica
Effect of Metal Ions Regulate Radical Type and Proton-Coupled Electron Transfer Channel: σ-radical v
Theoretical Investigation on Triagonal Symmetry Copper Trimers: agneto-Structural Correlation and S
On the Binding Strength Sequence for Nucleic Acid Bases and C60 with Density Functional and Dispersi
Effects of side chains in gas-phase amino acids: Conformational analysis and relative stabilities
Redox-Induced Configuration Conversion for Thioacetamide Dimer?Can Function as A Molecular Switch
Coupling Interactions between Sulfurous Acid and the Hydroperoxyl Radical
Proton/water coupling to metals in biological reaction mechanisms: Computational studies
Proton-Regulated Electron Transfers from Tyrosine to Tryptophan in Proteins: Through-bond Mechanism
Excess Electron Solvation in an Imidazolium-Based Room-Temperature Ionic Liquid Revealed by Ab Initi
Theoretical studies on the interaction of modi?ed pyrimidines and purines with purine riboswitch
Theoretical studies on the properties of uracil and its dimer upon thioketo substitution
Isomerization of HNO to HON in the Singlet State Assisted by Amino Acid Residues and/or Water Molecu
Internucleotide J-Couplings and Chemical Shifts of the NH…N Hydrogen-Bonds in Radiation-Damaged Guan
Electron delocalization and transfer in polypeptide chains
Interaction site preference between carbon nanotube and nifedipine: A combined density functional th
Remarkable Metal Counterion Effect on the Internucleotide J-Couplings and Chemical Shifts of the N?H
Exploration on Regulating Factors for Proton Transfer along Hydrogen-Bonded Water Chains
Characterizing the Properties of the N7,N9-Dimethylguaninium Chloride Ion Pairs: Prospecting for the
Cation-Modulated Electron-Transfer Channel: H-Atom Transfer vs Proton-Coupled Electron
Factors Determining the Deriving Force of DNA Formation: Geometrical Differences of Base Pairs, Dehy
Theoretical Prediction of the p53 Gene Mutagenic Mechanism Induced by trans-4-Hydroxy-2-nonenal
Pairing strength and proton characters of the N7,N9-dimethylated GC and AT base pairs: a density fun
Theoretical Study on the Gas-Phase Acidity of Multiple Sites of Cu+?Adenine and Cu2+?Adenine Complex
甲醇协助丙交酯开环聚合反应的理论研究
离子液中溶剂化电子的结构及其演化动力学
蛋白质电子跳跃转移与溶剂化电子结构
First-Principle Studies on Adsorption of Cu+ and Hydrated Cu+ Cations on Clean Si(111) Surface
States and Migration of an Excess Electron in a Pyridinium-Based Room-Temperature Ionic Liquid: An A
Theoretical study on the enantioselective α-amination reaction of 1,3-dicarbonyl compounds catalyzed
Density functional theory study of BnC (n = 1–7) clusters
A novel aluminum-doped carbon nanotubes sensor for carbon monoxide
Discrimination of Glycine Enantiomers by the Biologically Important Phosphocompounds: A Theoretical
α-Helix C-Terminus Can Act as a Relay to Mediate Long-Range Hole-Migration in Proteins
Peptides-assisted charge transfers in proteins: relay mechanism and its controllability
Unexpected dissociation energetics of the Na+ counterion from GC motifs in DNA hole-migration
Theoretical evidence on O–N type smiles rearrangement mechanism: a computational study on the intram
Deprotonation and Radicalization of Glycine Neutral Structures
Assembly and Stabilization of Multi-Amino Acid Zwitterions by the Zn(II) Ion: A Computational Explor
Glycine Canonical and Zwitterionic Isomers within Zeolites
Theoretical prediction of size-expansion effect on the C8-site activity in the modified guanine-cyto
The capture of .H and .OH radicals by vitamin C and implications for the new source for the formatio
Theoretical studies on the glucosidation mechanism of 6-(4-halophenyl)-3(2H) -pyridazinone
Theoretical study on the interactions between methanol and imidazolium-based ionic liquids
New insight into the formation mechanism of imidazolium-based halide salts
双官能团硫脲催化丙交酯开环聚合反应的理论研究
Absorption and Fluorescence Emission Spectroscopic Characters of Naphtho-Homologated yy-DNA Bases an
Negative Dissociation Energy Phenomenon of Metastable H-Bonds as Revealed in Triplex DNA Hole Migrat
Stabilization of Amino Acid Zwitterions with Varieties of Anionic Species: The Intrinsic Mechanisms
Proton Transfer at the Carboxylic Sites of Amino Acids: A Single Water Molecule Catalyzed Process
Tethered-Hopping Model for Protein-DNA Binding and Unbinding Based on Sox2-Oct1-Hoxb1 Ternary Comple
Solvation of Excess Electrons in LiF Ionic Pair Matrix:Evidence for a Solvated Dielectron from Ab In
Investigations of Coupling Characters in Ionic Liquids Formed between the 1-Ethyl-3-methylimidazoliu
Relay Stations for Electron Hole Migration in Peptides: Possibility for Formation of Three-Electron
硼碳团簇BnC2（n=1～6）的理论研究
N-烷基吡啶阳离子及其与若干阴离子形成的离子对结构的理论研究
Au10团簇结构与电性质的理论研究
聚L-丝氨酸修饰电极循环伏安法测定肾上腺素