MINDO/3 prediction of the .PI. and .SIGMA. electronic states of the succinimido radical.

スポンサーリンク

概要

• 論文の詳細を見る

• Restricted open-shell SCF MINDO/3 calculation gives the Σ state for the electronic ground state of the succinimido radical.

• 公益社団法人 日本化学会の論文

著者

• Kikuchi Osamu

  Department Of Anesthesia Kitano Hospital The Tazuke Kofukai Medical Research Institute

• Suzuki Keizo

  Department Of Chemistry Faculty Of Science And Engineering Ritumeikan University

• Sato Yumiko

  Department of Chemistry, The University of Tsukuba

関連論文

• Follicular lymphoma frequently originates in the salivary gland
• p27^ is Detected on Most Gastric MALT Lymphomas, but not Large Cell Lymphomas
• Molecular and cytogenetic response of chronic myelogenous leukemia treated with imatinib mesylate : one institutional experience in Japan
• Characteristic Height Growth Pattern in Patients with Pseudohypoparathyroidism : Comparison between Type 1a and Type 1b
• A Girl with Prolactinoma Presenting Cessation of Pubertal Development and Growth
• PRIMARY MALIGNANT LYMPHOMA OF THE ENDOMETRIUM : REPORT OF A CASE AND REVIEW OF THE LITERATURES
• Comparison of continuous intraarterial blood gas analysis and transcutaneous monitoring to measure oxygen partial pressure during one-lung ventilation
• Singlet-Triplet Energy Gaps of Quinonoidal Dinitrenes
• ESR Study of Intramolecular Magnetic Interactions in Bis(nitrenophenyl) Sulfides
• ESR of Excited Quintet States in 3,3'-Dinitrenobenzophenone
• The Photolysis of 4,4'-Diazidobiphenyl in Rigid Matrices at Low-Temperature
• Glioblastoma With Metastasis to the Spleen(Case Report)
• Relationship between Rubbing Strength and Surface Anchoring of Nematic Liquid Crystal
• Relation between Rubbing Strength and Surface Anchoring of Nematic Liquid Crystal
• σ-Delocalized Hexakis(methylthio)benzene Dication: A Possible Intermediate of Pummerer-type Rearrangement of Monooxide of Hexakis(methylthio)benzene
• s-cis-(Z, Z) Structure of 1,2-Bis(2-pyridyl) ethylene Dianion in Solution
• Behavior of Triphenylethylene Dianion in Diethyl Ether Solution
• Lithium-Bridged Bis(silyl anion)of 9, 10-Dimethyl-9, 10-disilaanthracene
• Perfusion CT is superior to angiography in predicting pancreatic necrosis in patients with severe acute pancreatitis.
• A linear prediction problem for symmetric α-stable processes with 1/2
• Molecular Dynamics Analysis of Nucleation and Growth in a Structural Transformation
• Ab Initio Study of the Molecular Structure and NMR Carbon-Lithium Coupling Constant for Trichloromethyllithium
• Ab Initio MO Calculations of NMR ^N - ^Li Coupling Constants in Lithium Amide Monomers, Oligomers, and Mixed Aggregates with LiCl
• Effects of Exercise Load on Hepatic Blood Flow in Patients with Chronic Liver Diseases
• シアン化水素からプリン前駆体への前生物的合成に対するAblnitio GB研究: 溶液中におけるシアン化水素多量体の相対的エネルギー
• Studies on Taka-Amylase A Under High Pressure : II. Recovery of Enzymic Activity of Pressure Inactivated Taka-Amylase A and its Enhancement by Retreatment at Moderate Pressure
• Reactivation of Pressure-Inactivated α-Amylase of Bacillus sudtilis under Moderate Pressure
• Construction and asymptotic behavior of a class of self-similar stable processes
• Successful Treatment of a Patient with Sepsis and Liver Abscess Caused by Edwardsiella tarda
• Dipole Moments of Polyethylene Glycol Diethyl Ethers
• Studies on Taka-Amylase A Under High Pressure : I. Some Kinetic Aspects of Pressure Inactivation of Taka-Amylase A^1
• An ab initio molecular orbital study of pyridyl radicals.
• Photochemical electrocyclic reaction mechanism of methyleneamine N-oxide to form oxaziridine. MINDO/3 CI study.
• An MO theoretical study of the photochemical reaction of alkanenitronate anions to form hydroxamic acids.
• Nucleophilic substitution on 4-methylbenzyl thiocyanate with nucleophiles.
• The Three-dimensional Structure of Macromolecules. I. The Conformation of Ethylene Polymers by the Monte Carlo Method
• A molecular orbital study of conformational behavior of 9,9'-bifluorenylidene.
• A sudden-polarization model to predict excited state reactivity of .BETA.-t-butylstyrene.
• Nonadiabatic transitions in photochemical electrocyclic reaction of acrylaldehyde to form 2H-oxete.
• The Application of an MC-SCF Theory to Organic Chemical Reactions
• Effect of pressure on the pre-steady-state kinetics of the hydrolysis of p-nitrophenyl pivalate catalyzed by .ALPHA.-chymotrypsin.
• Polymer effects under pressure. III. Hydrolysis of normal alkyl acetate catalyzed by dodecyl hydrogensulfate micelle.
• Effect of pressure on iodine complexes. II. Absorption spectra of the charge transfer bands with diethyl ether, diethyl sulfide, and diethyl selenide in heptane.
• Pressure and solvent shifts of charge transfer absorption band of iodine complexes.
• The Effect of the Pressure on the Electrical Conductivity of Zinc Sulfate in Water
• MINDO/3 prediction of the .PI. and .SIGMA. electronic states of the succinimido radical.
• Solvent Effect on the ESR Parameters of Di-t-butyl Nitroxide and Galvinoxyl. Theoretical Application of the MNDO Effective Charge Model.
• The effect of configuration interaction on the .PI.-bond orders, and the molecular geometry of coronene in its ground state.
• An MO-theoretical study on the hydration of simple olefins.
• Parity-violating energy shift of glycine, alanine, and serine in the zwitterionic forms: Calculation using HFO-NG basis sets.
• Systemic Malignant Lymphoma 17 Years after Bilateral Orbital Pseudotumor
• Reaction paths of the photochemical electrocyclic reaction of acrylaldehyde. A possible path via a zwitterion.
• Pressure and solvent shifts of absorption spectra. II. Intramolecular charge transfer bands.
• Pressure effects on the hydrolysis of 3-nitro-4-acyloxybenzoic acids catalyzed by hexadecyltrimethylammonium bromide micelle.

もっと見る 閉じる

スポンサーリンク