![]() To ensure the complete removal, it would be better to unhide the Library folder permanently. In the upper-left corner of the screen, hold the “Option” key on your keyboard, click “Go” on the Finder, and select “Library” to open the Library folder. Otherwise, just do the following to clean them out. Usually they are very small, so if you attempt to reinstall the application, you can keep them. Choose between using the QR code generator in a new or an existing design. So this is teaching you how to delete the Support and Preference Files from it, which are those left behind after you remove Easy Barcode Creator 3.0.0.3.54 application. 1.Click Generate a QR code, and youll be redirected to the QR code app on Canva. In the entire removal process, the Library folder could be a blind spot to many users. This will permanently remove Easy Barcode Creator 3.0.0.3.54 and everything inside, freeing up the hard drive space on your Mac. It will ask for your confirmation, also click “Empty Trash” on the message. Right-click on the Trash icon, select “Empty Trash”. In the list of installed applications, select Easy Barcode Creator 3.0.0.3.54 as a target, and hit “Run Analysis”.ĭo it once you are certain that you will never use Easy Barcode Creator 3.0.0.3.54 again (or in a short time at least). You are then able to copy the barcode to your clipboard or. Download - Install - Run App Uninstaller 2. Quickly generate barcodes with the easy to use user interface, preview your barcode before saving. What I’m only interested in is how to quickly get things done”. In the very beginning, I would like to introduce an easy approach to uninstall this app on Mac, just in case you are like “Geez, don’t put me through the knowledge. Using App Uninstaller by to Breezily Remove Easy Barcode Creator 3.0.0.3.54 ![]() I believe after going through the whole process, you will be much more familiar with your Mac. The following are specific steps for you to fully remove Easy Barcode Creator 3.0.0.3.54. Regards to removals on macOS, keywords shall be Finder, Library, Preference, and Application Support instead. Let’s temporarily isolate other Windows logicality from our mind, forget about the Start menu, Control Panel, Registry Editor, etc. If you don’t deal with them termly, issues would be generated. So there is one thing you can be sure of: too many junks will slow down your computer, and they are accumulating during the operation. Removing the useless applications from your computer is still one of the simplest ways to speed up your system, where everything lives to work, occupying part of the hardware resources including hard drive space and memory. The software package currently consists of a GUI software and a Command Line executable to allow. Now go with how to correctly remove Easy Barcode Creator 3.0.0.3.54. The Easy Barcode Generator is a barcode generating software. If you happen to be a newbie of Mac Computer, take the chance to learn something. This page can help you understand the basic knowledge of system maintenance, guiding you through the confusion of removal problems. Chapter 3 Disney's Hollywood Studios Welcome to the. Removals on macOS are quite different from those on Microsoft Windows OS. How to Remove Easy Barcode Creator 3.0.0.3.54 on macOS
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![]() No matter what, NoxPlayer will always remain true to our original aspiration and go ahead bravely. “We are very glad about the tech giants joining us in mobile on PC gaming field, but NoxPlayer has already developed several years of experience in global market, the challenges are just getting escalating with more competitors join in ” recalled Cynthia May, with new Android 12 engine and a new form of emulator for Gen Z. Asking for help, clarification, or responding to other answers. The beacon indicates that generation Z are not satisfied with just mobile platform, switching among devices are now a mainstream for better gaming experience. Thanks for contributing an answer to Stack Overflow Please be sure to answer the question.Provide details and share your research But avoid. Providing an alternative for gamers who wishes to use Windows Subsystem for Android (WSA) and Google Play Games for PC last year. In the aspect of vision and sound, the NoxPlayer team has also fully optimized them according to different user feedbacks and needs worldwide.įurthermore, NoxPlayerZ, the new product of Nox Limited will be based on Android 12 and released in fall 2022. ![]() ![]() The upcoming Android 12, equipping with its self-optimized new android system which is compatible with major mobile games on the market. With higher market demands and user expectations, the Android 12 emulator will officially be released this year later, which will be beneficial for all gamers. “As the market of Android emulators and smartphones have gradually matured, the team was facing various challenges,” says Jason, the product manager. NoxPlayer has integrated three different version of engines including the leading Android 9 and the following version 12 as expected, allowing all types of hardware to choose accordingly. It is easy to set up and use and is compatible with most mainstream games. NoxPlayer is free and designed to emulate Android applications on Windows or macOS computers. The PC software built in cool features such as Google Play Store, multi-instances, and game launcher. ESET experts discovered an attack on the supply chain, during which an unknown hack group compromised the developers of the popular Android emulator NoxPlayer and infected it with the malware code. Last year, NoxPlayer, one of the best Android emulators and FREE of charge, released the first Android 9 emulator. It offers a new way for emulator players to have the smoothest and best experience! ( MENAFN- Topic News Media) NoxPlayer has announced the release of its new engine based on Android 12 emulator, which will be comprehensively upgraded in terms of vision, performance and compatibility, improving the experience for players worldwide. ![]() The program even ejects the card you, so can yank it right out and insert it into your Pi. Click Restore Backup, wait for the progress bar to finish, and you're done. Select the SD card on the left plane, then upload your image iundet the Pi Ingrediants: IMG Recipe section. It will ask for an admin password upon startup. Once the image is installed, insert the card into the board and apply power.įor Mac users, the ApplePi Baker Software is a great way to upload a new image to an SD card. Once it is done, remove your card and you are good to go. Download your image, then run the program, select your image, select your uSD card drive, and then hit flash. These guys have taken all the different steps needed and put them all in one piece of software to take care of everything. Specifically, it includes Python, Scratch, Sonic Pi, Java, and several other important packages. It comes baked in with several tools for education, programming, and general use. To install your own image on your card, we recommend software called Etcher. Raspbian OS: The official Raspberry Pi OS Raspbian is the officially supported OS for Raspberry Pi boards. Visit this link for a breakdown of each Pi model. The good news is that the Zero line uses the same chip as the older Raspbery Pi A/A+/B/B+ models, so there are still a lot of images out there for it. Because those Pis use a slightly different processor than the Zero, these images won't work. However, other Raspberry Pi image files, such as OSMC or RetroPi, have images that are designed for different models, often distinguishing between the Pi 2 or 3 and older models. Heads up! When installing Raspbian, you do not need to worry about which model Raspberry Pi you are using. If you do you will get a lot more options for images to install. If you still require multi-boot functionality, consider switching to PINN, which is an unofficial fork with additional features. You can also go into the Wifi screen and setup Wifi. NOOBS (New Out of Box Software) Please note that NOOBS is no longer supported or recommended. Follow the prompts and install Raspbian (you may also want to select a differernt region for your keyboard and language). Once you have NOOBS on your card, insert it in your board, apply power, and you should see action on your screen. Just download the image, unzip, drag and drop the files to your card, and you are good to go. If you don't have a current NOOBS image or just want to start again from scratch installing NOOBS is easy, you don't need any special software to install it on a card. Unfortunately as of the release of the Pi Zero Basic Kit the NOOBS image will need to be updated to work on the Pi Zero boards. Most generic kits such as the Pi3 Starter Kit will come with a NOOBS uSD card. The Raspberry Pi foundation has created NOOBS (New Out Of the Box Software) which is easy to use and get you started. ![]() When it comes to crating an image on an SD card for your Pi Zero W, there are two options. Share on Twitter Share on Facebook Pin It Installing the OS ![]() Antivirus, as a more simplified solution, typically does not offer this kind of management capability. Therefore, endpoint security offers a centralized administration portal from which admins can deploy and manage protection for numerous devices at once. Additionally, antivirus software is meant to be installed on an individual device basis, whereas endpoint security is usually installed on multiple machines that are networked together, and is managed centrally by an IT administrator. Endpoint security extends beyond antivirus, including next-generation protection features like advanced persistent threat detection, investigation, and response, device management, data leak prevention, and others. ![]() Typically, endpoint security includes antivirus/antimalware protection, but is not limited to this level of protection. Some products may include other features, such as anti-phishing protection or malicious URL blocking. Today’s antivirus software can protect users from a variety of threats, such as keyloggers, rootkits, Trojans, worms, adware, and spyware. In part, that’s because one is a single component of the other.Īlso known as antimalware, antivirus is software that is specifically designed to be installed on an individual device, such as a computer, tablet, mobile phone, or server, to detect and remove viruses and other malware. Typically, you’re more likely to hear the word “antivirus” in the home user space, while “endpoint security” or “endpoint protection” is more common as a term in the business space. The difference between endpoint antivirus and endpoint securityĪntivirus and endpoint security are the same thing, right? The answer is: yes and no. ![]() Photoshop Express provides some simple graphics tools so anyone can create their own set of memes, with stills or animations. Like adding text to the image as you like, adding personalized accents like stickers…Ĭreating memes is also an important part of this feature cluster. With Photoshop Express’s built-in toolset, you can even add a variety of personal attributes to your images. Design your own highly personalized images There are borders, no borders, 2 vertical images, 3 alternating vertical images and many more options. There are many different Grid layout options to help you create beautiful images yourself. Photoshop Express is also a professional photo collage. Professional photo collageĬollage is the fastest way to help you record cute moments in life or capture many moments with friends. When you have an injury or a small scar somewhere on your skin and you don’t want it to show up in your photos, you can also use this set of Enhancer features in Photoshop Express to erase these unwanted parts to make a bright face and a smooth skin. Photoshop Express has a set of tools that help enhance image details by smoothing skin, blurring dark spots on the face. All with just one touch and one swipe on the image.īesides filters, Photoshop Express also provides a set of basic image editing tools, allowing you to crop images, correct curved images, or correct distorted camera angles. You can also go through the filter to remove noise around the image, smoothing out imperfections. In addition, you can also use other filters to remove red-eye in an image, remove unwanted objects, or apply different filters at the same time to create different shades of the image. With the Enhancer feature to enhance image colors, all key points on the image will be significantly improved, sharper in terms of color, making photos more vivid. With these filters you can do more than just create a color filter layer for the photop as you think.įor example, with Photoshop Express’s Blue Blur feature, you can choose to blur the whole or radial blur for the purpose of blending the background or shifting the focus to another object in the image. In Photoshop Express, you’ll first see a lot of visual filters for photos. ![]() This is an editing app you can completely trust. Photoshop Express has taken advantage of Adobe’s years of experience working with images. ![]() All are supported by highly specialized tools. Most importantly, you don’t have to be a design pro to do all of the above. Using Photoshop Express is that you are “dancin” with your own images. You are free to fly with your ideas: create collages, create memes, edit photos, connect countless beautiful moments through images to share on social networks. In this application, there are many diverse options in both features and visual effects, along with a series of stickers, filters, and color enhancement filters. Photoshop Express can be called a fun image editor. Explore thousands of stickers and filters In just 1-2 taps, you can create images that highlight lovely moments, in the most dynamic, attractive and trendy way. Photoshop Express’s strength comes from one-touch, high-quality photo editing with a range of editing tools that encourage everyone’s creativity. If you have a smartphone in hand, this is the time to download Photoshop Express to own a highly personalized creative photo editing application that can help edit images in minutes, anytime, anywhere. Necessary in any daily photography situation or when traveling today is not a bulky camera, but a good smartphone and a professional photo editing tool. Download Photoshop Express APK & MOD for AndroidĪ modern, high-quality photo editor released by Adobe! Edit photos in detail like Photoshop.Design your own highly personalized images.Explore thousands of stickers and filters.With just one or a few simple steps, you have beautiful high-quality images in your hands. This application is released by the famous company Adobe. Photoshop Express, the modern photo editing app for your Android phone. ![]() The component is a functional component that renders the matched component for the given path. In most cases, the default of page should be the best fit. It must be one of the allowed values for aria-current (opens new window) in the ARIA spec. Type: 'page' | 'step' | 'location' | 'date' | 'time' | 'true' | 'false'Ĭonfigure the value of aria-current when the link is active with exact match. Note the default value can also be configured globally via the linkExactActiveClass router constructor option. Specify the event(s) that can trigger the link navigation.Ĭonfigure the active CSS class applied when the link is active with exact match. Note the default value can also be configured globally via the linkExactPathActiveClass router constructor option. If you don't, router-link will wrap its children in a span element.Ĭonfigure the active CSS class applied when the link is active with exact path match. When using the v-slot API, it is required to pass one single child to router-link. ![]() This is a more advanced API that primarily targets library authors but can come in handy for developers as well, most of the time in a custom component like a NavLink or other. Router-link exposes a low level customization through a scoped slot (opens new window). When you are using the base option in HTML5 history mode, you don't need to include it in to prop's URLs.In HTML5 history mode, router-link will intercept the click event so that the browser doesn't try to reload the page.It works the same way in both HTML5 history mode and hash mode, so if you ever decide to switch mode, or when the router falls back to hash mode in IE9, nothing needs to be changed.is preferred over hard-coded for the following reasons: In addition, the link automatically gets an active CSS class when the target route is active. It renders as an tag with correct href by default, but can be configured with the tag prop. The target location is specified with the to prop. Is the component for enabling user navigation in a router-enabled app. ![]() The mortality rate due to the disease presents an upward curve,1 contributing to make breast cancer a major public health problem and an important cause of mortality in adults.2 In 2018, 59,700 new cases were estimated in Brazil, representing an incidence rate of more than 56 cases per 100,000 women.1 Approximately 10 to 15% of breast cancer patients have a previous family history of the disease however, only 5% can be explained by mutation of genes such as BRCA1 and BRCA2.3 Regarding family risk for the development of the disease, it is necessary to consider the influence of environmental factors and genetic variations that may alter the predisposition to the risk of breast cancer.4 We did not observe a relationship between MMP-9-1562 C/T polymorphism (rs 3918242) and the occurrence of breast cancer.īreast cancer is the most common type of cancer in the female population when disregarding cases of non-melanoma skin cancer. We also found no association with more advanced disease, the presence of hormone receptors, human epidermal growth factor receptor 2 (HER2) overexpression, or rate of tumor cell proliferation. The DNA was extracted from plasma samples, and the gene was amplified by polymerase chain reaction (PCR) the presence of the polymorphism was determined using restriction enzymes.Īfter adjusting for confounding variables, we found that the polymorphism was not associated with the occurrence of breast cancer (odds ratio = 1.159, 95% confidence interval : 0.6625-1.997, p = 0.5964). In this case-control study, the frequency of the MMP-9-1562 C/T polymorphism (rs 3918242) was determined in 148 women with breast cancer and 245 women without the disease. Our objective was to evaluate the relationship between the MMP-9-1562 C/T polymorphism (rs 3918242) and the risk of developing breast cancer. ![]() Matrix metallopeptidase 9 (MMP-9) is a collagenase responsible for the degradation of type IV collagen, the major component of the basement membrane, and other essential extra cellular matrix components, being involved in the tumor cell invasion and metastasis. Rogério Tadeu Felizi, Melissa Gonzalez Veiga, Ivo Carelli, Ricardo Peres do Souto, César Eduardo Fernandes, Emerson Oliveira Abstract ObjectiveĮpidemiological studies have shown evidence of the effect of genetic variations in the pathogenesis of breast cancer and have suggested a relationship of the disease with genetic polymorphisms. Revista Brasileira de Ginecologia e Obstetrícia Revista Brasileira de Ginecologia e Obstetrícia Associação entre o polimorfismo do gene metalopeptidase de matriz 9 e o risco de câncer de mamaĭOI: 10.1055/s-0038-1673366 - volume 40 - Outubro 2018 ![]() Time and again during its 110-year history, IBM has ushered in new technology and sold it to corporations. The march of artificial intelligence through the mainstream economy, it turns out, will be more step-by-step evolution than cataclysmic revolution. Today, instead of being a shorthand for technological prowess, Watson stands out as a sobering example of the pitfalls of technological hype and hubris around A.I. businesses.īut the grand visions of the past are gone. The job of reviving growth was handed to Arvind Krishna, a computer scientist who became chief executive last year, after leading the recent overhaul of IBM’s cloud and A.I. strategy - a pared-down, less world-changing ambition - is working. development at IBM in three stages: the technical achievement with “Jeopardy!," the years of “experimentation” with big services contracts and, now, a shift to a product business. Thomas, who earlier this month was named senior vice president for global sales, sees the A.I. “Innovation is always a process,” said Rob Thomas, the executive in charge of the Watson business in the past few years. Product people, they say, might have better understood that Watson had been custom-built for a quiz show, a powerful but limited technology. The company’s top management, current and former IBM insiders noted, was dominated until recently by executives with backgrounds in services and sales rather than technology product experts. Martin Kohn, a former chief medical scientist at IBM Research, recalled recommending using Watson for narrow “credibility demonstrations,” like more accurately predicting whether an individual will have an adverse reaction to a specific drug, rather than to recommend cancer treatments. Saxena, who is now executive chairman of Cognitive Scale, an A.I. ![]() “The challenges turned out to be far more difficult and time-consuming than anticipated,” said Mr. Manoj Saxena, a former general manager of the Watson business, said that the original objective - to do pioneering work that was good for society - was laudable. Several of those people asked not to be named because they had not been authorized to speak or still had business ties to IBM. ![]() The company’s missteps with Watson began with its early emphasis on big and difficult initiatives intended to generate both acclaim and sizable revenue for the company, according to many of the more than a dozen current and former IBM managers and scientists interviewed for this article. While the shares of those three have multiplied in value many times, IBM’s stock price is down more than 10 percent since Watson’s “Jeopardy!” triumph in 2011. The company trails rivals that emerged as the leaders in cloud computing and A.I. Inside IBM, Watson was thought of as a technology that could do for the company what the mainframe computer once did - provide an engine of growth and profits for years, even decades. It was going to breathe new life into IBM - a giant company, but one dependent on its legacy products. Watson was featured on “60 Minutes.” For many people, Watson became synonymous with A.I.Īnd Watson wasn’t just going to change industries. IBM’s television ads included playful chats Watson had with Serena Williams and Bob Dylan. An IBM report called it “the future of knowing.” The potential uses, IBM suggested, were boundless, from spotting new market opportunities to tackling cancer and climate change. IBM poured many millions of dollars in the next few years into promoting Watson as a benevolent digital assistant that would help hospitals and farms as well as offices and factories. Ferrucci, who left IBM the following year. “It wasn’t the marketing message,” recalled Mr. His explanation got a polite hearing from business colleagues, but little more. ![]() It might well fail a second-grade reading comprehension test. It was not an all-purpose answer box ready to take on the commercial world, he said. “Already,” IBM declared in an advertisement the day after the Watson victory, “we are exploring ways to apply Watson skills to the rich, varied language of health care, finance, law and academia.”īut inside the company, the star scientist behind Watson had a warning: Beware what you promise.ĭavid Ferrucci, the scientist, explained that Watson was engineered to identify word patterns and predict correct answers for the trivia game. This was only the beginning of a technological revolution about to sweep through society, the company pledged. Its Watson supercomputer had just trounced Ken Jennings, the best human “Jeopardy!” player ever, showcasing the power of artificial intelligence. A decade ago, IBM’s public confidence was unmistakable. The Interface of the application looks great and you can use this app with your iPad and iPod touch too. The newly added Authorization option in this app enables your account get bound to a device. Being Easy, Fast and compatibility with iOS6 and iPhone5, the app is getting more popular. This is another free app to test your Internet connection and the speed on your iPhone. The app is available in 15 different languages. Apart from this, the real-time graph shows you about the consistency of your internet connection. The app stores the results, so that you can compare your recent internet speed with your previous one. You can get your Download Speed, Upload Speed and Ping results within few seconds. ![]() The popular app is a free one and you can check your internet speed by using this. We have listed 5 best apps that are helpful in ios internet speed test. October 29, 2021.(iPhone internet speed test) – Check your internet speed through these apps. “The 5 Best Free Speed Test Apps to Check Your Internet and Wi-Fi Network Performance.”. Take the speed test and provide your survey feedback at: Share your broadband experience with the NC Department of Information Technology – Broadband Infrastructure Office. What is your favorite free internet speed test app? Why? Speed Test Master app, iOS screen shot Your Favorite Free App? The free version has very invasive ads that make it hard to get to the speed test data, history, and tools. ![]() This app has a 4.6 rating with 12.7K reviews on the iTunes store. Speedcheck not only provides speed check data, but a history, and a Wi-Fi finder. It is listed with an impressive 4.9 of 5 star rating with 75.9K reviews. Internet Speed Test Speedcheck WiFi FinderĪlthough the iTunes store indicates the display of this app is designed for an iPad, I now have this app on my iPhone. I agree that I am ‘OK’ with the responsiveness, but wish for ‘Awesome’ ping for my broadband connection. Ping is the reaction time of your connection or how quickly your device gets a response after you’ve sent out a request.Ī fast ping means a more responsive connection, especially in applications where timing is everything (like video games). For me, Ping was ‘OK.’ Ping is also called latency. The very nice feature with this app is that it clearly provides acceptable degrees of internet speeds for the other apps. It comes with an app store rating of 4.7 with 2K reviews in the iTunes store. ![]() Meteor is one of my newer free speed test apps. Internet Speed Test – Meteor Meteor Speed Test iOS App Unloaded latency measures the round-trip time of a request when there is no other traffic present on a user’s network, while loaded latency measures the round-trip time when data-heavy applications are being used on the network. Unloaded latency measures the round-trip time of a request when there is no other traffic present on a user’s network, while loaded latency measures the round-trip time when data-heavy applications are being used on the network according to the app documentation. This free speed test app provides unique latency information ‘Loaded.’ Screen shot of acceptable broadband speeds for video streaming at HD or 4K. ![]() This sounds like the app for you if you are experiencing video streaming issues.Īpple’s App Store lists this app as 3.9 stars of 5 with only 144 reviews. FAST Speed Test by NetflixĪ speed test app by a leading video streaming service. At the WNC Broadband Project, this data is important in mapping speeds throughout our geographic area. Ookla boasts having some of the large user-test counts. At the bottom of the Ookla iOS speedtest, it provides the options of: Ookla has been my favorite free app because it is simple, quick, and has a large button to start the testing process. It also places this app as #56 in the utilities category. Unacceptable Wi-Fi performance for me causes dropped video calls and glitchy cloud based interactions.Īlthough there are a number of apps on the market to me assess the wireless networks at my home or favorite coffee shop this TechRadar article prompted my to download and check these ‘five of the best free solutions to test network performance, locate nearby connectivity and more.’ Speedtest by Ookla iOS Ookla Speedtest Results – Screen Shot of acceptable internet speed for a video conference with multiple individuals.Īpple’s App Store lists this app as 4.1 stars of 5 with 10.4K reviews. įast and stable internet connections on solid Wi-Fi networks are crucial for me in this age of remote work and media streaming. In the remote work era, reliable Wi-Fi is a must. TechRepublic’s article ‘The Best Free Speed Test Apps to Check Your Internet and Wi-Fi Network Performance” prompted me to review these apps on my iPhone 12. ![]() If you have optimized to a transition state, or to a higher order saddle point, then there will be some negative frequencies which may be listed before the “zero frequency” modes. In general, the frequencies for for rotation and translation modes should be close to zero. The output for water HF/3-21G* looks like this: Full mass-weighted force constant matrix: Gaussian converts them to cm, then prints out the 3 N (up to 9) lowest. The roots of the eigenvalues are the fundamental frequencies of the molecule. The eigenvectors, which are the normal modes, are discarded they will be calculated again after the rotation and translation modes are separated out. Where, and so on, are the mass weighted cartesian coordinates.Ī copy of is diagonalized, yielding a set of 3 N eigenvectors and 3 Neigenvalues. The first thing that Gaussian does with these force constants is to convert them to mass weighted cartesian coordinates (MWC). The refers to the fact that the derivatives are taken at the equilibrium positions of the atoms, and that the first derivatives are zero. This is a matrix ( N is the number of atoms), where are used for the displacements in cartesian coordinates. ![]() We start with the Hessian matrix, which holds the second partial derivatives of the potential V with respect to displacement of the atoms in cartesian coordinates (CART): This is seldom a large problem, since the frequencies of the other modes, like the stretching mode, are are still useful. Using a single reference method will yield different frequencies for the and vibrations, while a multireference method shows the cylindrical symmetry you might expect. One case that comes to mind is molecules which are in a ground state. For example, a single reference method, such as Hartree-Fock (HF) theory is not capable of describing a molecule that needs a multireference method. (There are certain exceptions, such as analysis along an IRC, where the non-zero derivative can be projected out.) For example, calculating frequencies using HF/6-31g* on MP2/6-31G* geometries is not well defined.Īnother point that is sometimes overlooked is that frequency calculations need to be performed with a method suitable for describing the particular molecule being studied. Analysis at transition states and higher order saddle points is also valid. In other words, the geometry used for vibrational analysis must be optimized at the same level of theory and with the same basis set that the second derivatives were generated with. Vibrational analysis, as it’s descibed in most texts and implemented in Gaussian, is valid only when the first derivatives of the energy with respect to displacement of the atoms are zero. There is an important point worth mentioning before starting. I will add some subscripts to indicate which coordinate system the matrix is in. I will try to stick close to the notation used in “Molecular Vibrations” by Wilson, Decius and Cross. I’ll outline the general polyatomic case, leaving out details for dealing with frozen atoms, hindered rotors, and the like. In this section, I’ll describe exactly how frequencies, force constants, normal modes and reduced mass are calculated in Gaussian, starting with the Hessian, or second derivative matrix. Diatomics are simply treated the same way as polyatomics, rather than using a different coordinate system. The vibrational analysis of polyatomics in Gaussian is not different from that described in “Molecular Vibrations” by Wilson, Decius and Cross. This differs from the coordinate system used in most texts, where a unit step of one is used for the change in interatomic distance (in a diatomic). So why is the reduced mass different in Gaussian? The short answer is that Gaussian uses a coordinate system where the normalized cartesian displacement is one unit. Calculate reduced mass, force constants and cartesian displacements.Transform the Hessian to internal coordinates and diagonalize.Generate coordinates in the rotating and translating frame.Determine the principal axes of inertia.Mass weight the Hessian and diagonalize.One of the most commonly asked questions about Gaussian is “What is the definition of reduced mass that Gaussian uses, and why is is different than what I calculate for diatomics by hand?” The purpose of this document is to describe how Gaussian calculates the reduced mass, frequencies, force constants, and normal coordinates which are printed out at the end of a frequency calculation. Get PDF file of this paper (you may need to Right-Click this link to download it). |
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