2.2.2 설치 하는 안전
WebMO Premium serves as an enhanced version of the free 'WebMO' application, encompassing all its functionalities alongside additional features through an in-app purchase aimed at facilitating bulk transactions.
Designed for both academic and professional use, WebMO enables users to construct and visualize 3-D molecular structures, while also offering insights into orbitals and symmetry elements. The platform provides access to chemical data and properties from various external databases, as well as robust computational chemistry programs.
This application is particularly well-suited for high school, college, and graduate students as well as faculty members seeking mobile access to molecular models and computational resources.
Key functionalities of WebMO include:
- The ability to build molecules by either manually drawing atoms and bonds in a 3-D editor or by using voice commands (e.g., “aspirin”).
- Structure optimization through VSEPR theory or molecular mechanics techniques.
- Visualization of Huckel molecular orbitals, electron density, and electrostatic potential.
- Examination of molecular vibrations.
- Access to point group information and symmetry attributes of molecules.
- Lookup of fundamental molecular data such as IUPAC names, common names, stoichiometry, and molar mass.
- Integration with chemical databases like PubChem and ChemSpider for data retrieval.
- Access to experimental and predicted molecular properties from renowned sources (NIST, Sigma-Aldrich).
- Lookup of IR, UV-VIS, NMR, and mass spectra from external databases (NIST, SDBS).
- Capability to capture high-resolution images of molecular structures.
- Functionality to save and retrieve molecular structures locally.
- Options to export and import structures via email.
Additionally, WebMO acts as a front-end interface for WebMO servers (version 14 and higher), providing:
- Support for various computational chemistry programs including Gaussian, GAMESS, Molpro, MOPAC, NWChem, ORCA, PQS, PSI, Quantum Espresso, VASP, Q-Chem, and Tinker.
- The ability to submit calculations, monitor their progress, and review results comprehensively.
- Access to formatted tabular data extracted from output files alongside raw output data.
- Visualization capabilities for geometry analysis, partial charges evaluation, dipole moments assessment, normal vibrational modes representation, as well as NMR/IR/UV-VIS spectral data analysis.
개요
WebMO Premium 범주 교육 WebMO, LLC개발한에서 상업용 소프트웨어입니다.
WebMO Premium의 최신 버전은 2024-12-27에 발표 된 2.2.2. 처음 2024-12-27에 데이터베이스에 추가 되었습니다.
다음 운영 체제에서 실행 되는 WebMO Premium: iOS.
WebMO Premium 사용자 4 5 등급으로 평가 했다.
관련
1HCSC
This application represents the sole proton chemical shift calculator available for the iPhone platform. It offers rapid computation of proton NMR chemical shifts for various protons within a molecular structure.BF Mini Wiki
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The CCPS Glossary serves as a valuable resource for professionals in the field of Chemical Process Safety, providing clear definitions of commonly used terms as well as explanations of unfamiliar terminology and acronyms encountered in …GradeBook Pro - Grade, Attendance, and Behavior Tracking
GradeBook Pro is a sophisticated and user-friendly classroom management tool, tailored specifically for professional educators.iMolecular Draw
The IMoleDraw application offers comprehensive capabilities for viewing, editing, and constructing molecular structures in two dimensions. Its user-friendly interface facilitates the straightforward drawing of molecular diagrams.micro by THIX
Create and manipulate a variety of microorganisms such as bacteria, viruses, and fungi. Witness their reproduction, mutations, battles, and evolution.최신 리뷰
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