摘要:
A molecule design support apparatus has an input part, a display to display on a screen thereof a three-dimensional molecular structure by a half vector format or a ball-and-stick format, and a determining part to determine, in the molecular structure, an end that is to become a target of a coordinate modification with respect to a molecule in its entirety, in response to a bond axis of the molecule specified from the input part. The apparatus further has a modifying part to make a modification of the molecular structure based on the specified bond axis and the end that is the target of the coordinate modification, in response to the modification specified from the input part, and a display part to display a modified molecular structure on the screen of the display based on a determination made by the determining part and the modification made by the modifying part.
摘要:
A molecular force field assignment method for assigning a molecular force field to a molecule having a desired molecular structure, includes a step of specifying a combination according to whether or not an interatomic distance between a first and second atoms, obtained by analyzing a molecular structure with a molecular orbital method, exceeds a prescribed threshold value.
摘要:
The object of the present invention is to provide an organic EL element which utilizes a novel condensed eight-ring aromatic compound, and has high color purity of red light and excellent light-emitting efficiency, light-emitting luminance and the like. The organic EL element of the present invention has, in between a positive electrode and a negative electrode, an organic thin-film layer including a light-emitting layer. The organic thin-film layer contains the condensed eight-ring aromatic compound which has a number of regions where substituents can be introduced is any of 14, 16 and 18, and the condensed eight-ring aromatic compound has a point-symmetrical skeleton.
摘要:
A nonlinear optical material composed of a polyimide obtained from a diamine and/or a diacid anhydride or dithioacid anhydride substituted by a portion having a nonlinear optical effect or of molecules having a benzocyclobutene structure substituted at the portions having an nonlinear linear optical effect.
摘要:
A nonlinear optical material composed of a polyimide obtained from a diamine and/or a diacid anhydride or dithioacid anhydride substituted by a portion having a nonlinear optical effect or of molecules having a benzocyclobutene structure substituted at the portions having an nonlinear linear optical effect.
摘要:
A molecular structure construction assisting apparatus includes a storage unit configured to store a data structure pertaining to a molecular structure, the data structure including at least a molecule data structure including an atom data structure pertaining to an atom, a bond axis data structure pertaining to a bond axis, and a molecule main data structure, an element data structure pertaining to an element of the atom, a display unit configured to display the molecular structure, an operation unit configured to instruct a target atom to be arranged in the molecular structure, a molecular structure design unit configured to derive a hybrid orbital of the target atom and a localized molecular orbital pertaining to a bond formed between the target atom and another atom of the molecular structure by using the data structure.
摘要:
An object of the invention is to provide an organic EL element which uses an organometallic complex emitting light by phosphorescence and which represents excellent luminous efficiency, etc; or the like. The organic EL element of the invention includes the organometallic complex, where the organometallic complex includes a metal atom, and a tridentate ligand, where the tridentate ligand binds to the metal atom tridentately via two nitrogen atoms and a carbon atom, and the carbon atom is located between the two nitrogen atoms, and where the tridentate ligand has two azomethine bonds (—C═N—), and each nitrogen atom in the azomethine bonds coordinates to the metal atom. Preferably, in one aspect, the organometallic complex includes a monodentate ligand which binds to the metal atom monodentately, and in another aspect, the metal atom is Pt.
摘要:
An organic EL element, wherein a material comprising an arylaminozethrene compound represented by the following general formula is used as the material of a light emitting layer: wherein at least one of R1 to R14 is an arylamino group of the formula —NRR′ or —NR2 (R represents a substituted or unsubstituted aromatic group having a single aromatic ring or a condensed aromatic ring with up to five rings, and R′ represents H, halogen, —OH, —OCH3, or an alkyl group), and others represent H, halogen, —OH, —OCH3, alkyl, or an aforementioned substituted or unsubstituted aromatic group.
摘要:
A plurality of lines are formed on the principal face of a substrate. An insulating film is formed on the principal surface of this substrate so as to cover the lines. This insulating film consists of a material which contains a low-dielectric constant composition having caged molecular structural units. Spaces of thin electron clouds delineate the centers of the caged molecular structural units. The dielectric constant is accordingly lower than that of denser materials.
摘要:
A function processing system processes functions to make a three-dimensional display on a screen of a display means by connecting a plurality of lattice points of a space coordinate in a three-dimensional space region. The function processing system includes a computing system for computing a function value at each of the lattice points by a multivariable function having the space coordinate as an independent variable, where the computing system replaces the multivariable function by a product of a predetermined number of single variable functions and computing each of the single variable functions in advance so that the multivariable function is computed based on function values of each of the single variable functions, and a storage unit for storing the function values of the single variable functions which are computed in advance by the computing system. The computing system reads the stored function values of the single variable functions from the storage unit when computing the multivariable function.