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tag_hash_107Happy new (school) year! We are excited to welcome our new class of Chemistry majors to VSU and welcome back all of our Chemistry majors! Faculty and students were busy in August getting ready to start the new school year. Once classes started, we began planning for our schedule of fall events. They include guest speakers, community outreach, and networking events with the local chemical industry.

Dr. Focsan's research group, consisting entirely of VSU undergraduate research students, has developed a reputation for productive collaborations among her peers in the carotenoid chemistry research community. Building upon her years of research, Dr. Focsan and her coauthor described the current state of this field in the forthcoming book Chemistry of Carotenoid Radicals and Complexes. Her groundbreaking research has shed new light on the properties and potential applications of carotenoids, offering valuable insights into their roles as natural pigments and antioxidants. The ICS Fellowship underscores her dedication to advancing and sharing scientific knowledge for the betterment of Society.

We organized events for future students, current students, and alumni! First, our ACS Student Affiliates visited Valdosta Middle School STEM Academy for a Chemistry demonstration show. VSU students and faculty excited VMS students with lots of cool chemistry, like freezing flowers in liquid nitrogen. Liquid nitrogen is very cold so the flower instantly freezes and becomes brittle.

Dr. Tom Manning's Instrumental Analysis class went on a field trip to the Georgia Crime Lab in downtown Valdosta to learn how forensic scientists use Chemistry to solve crimes. They have a lot of the same instrumentation and equipment that VSU students learn to operate in our teaching and research labs, so our students begin lab careers with skills that they can immediately use.

VSU Chemistry students and faculty participated in STEAM Night at Sallas Malone Elementary School. Volunteers led activities like "Are you stronger than a cotton ball?", the chemical chameleon reaction, candy models of molecules, dying fabric with powdered drink mixes, and balloons containing lemon, orange, vanilla and peppermint. Participants also received take-home newsletters with more chemistry-related activities.

First, VSU Chemistry students and faculty participated in the 2022 Expo Latino by visiting the Willis L. Miller Regional Library in Valodsta to share some chemistry activities with younger students. The Southwest Georgia Local Section of the ACS sponsored this Chemistry outreach activity and the Latino Association organized the Expo. Activities included identifying the smells of chemistry, testing fibers, designing candy molecules, playing with fizzy drinks, and building batteries.

VSU Chemistry continued its tradition of handing out cupcakes to students on Mole Day (October 23). These aren't just any cupcakes, of course - they are a batch of 118 color-coded and labeled cupcakes that form a periodic table of cupcakes. Judging by the line of students, everybody loves chemistry!

Forensic chemistry is a popular career choice for our students. This engagement with a professional forensic chemist provides valuable insights to our students as they plan their careers. Dr. Segrest's discussion about lab skills highlighted the same skills that students learn in our new Forensic Chemistry course that Dr. de la Garza will teach this spring.

Here in Valdosta, Chemistry majors and Alexa Luna and Jayden Thomas joined Drs. Linda de la Garza and Kurt Winkelmann to perform chemistry demonstrations at Dewar Elementary School. Fifth grade students learned about chemical and physical changes, such as the Elephant's Toothpaste reaction (rapid decomposition of hydrogen peroxide) and freezing objects in liquid nitrogen. Everybody had a lot of fun learning about chemistry.

Our Chemistry Mentoring Luncheon was a huge success! Students and chemistry professors shared lunch and discussed undergraduate research and career goals on Friday, September 24, 2021 in the Cypress Room of the University Center. The Chemistry Department faculty and staff along with the student group Student Members of the American Chemical Society (SMACS) helped to set up the event. Goals of the event were for chemistry students to network with chemistry faculty, learn about the benefits of research, and research opportunities in the Chemistry Department. Thirty-seven chemistry majors and many chemistry faculty participated. Students received a t-shirt and padfolio, and several received prizes like a chemistry-themed blanket. For dessert, students prepared liquid nitrogen ice cream.

The VSU Chemistry faculty congratulate Danielle for this honor but we are not at all surprised. She is an exceptional member of our VSU Chemistry community. Danielle volunteers in several campus and Valdosta community organizations, serves as President of the Student Members of the ACS club (SMACS), helps manage the Chemistry Stockroom, performs research, and excels in her classes.

We welcome our new class of incoming chemistry majors - the largest group in recent memory. Students and faculty are excited to begin face to face classes and campus activity again. One much-anticipated event is The Happening that encourages students to get involved in clubs and organizations on campus. The booth for the Student Members of the American Chemical Society (SMACS) was a popular stop for students interested in chemistry.

Dr. Tom Manning led the MESA campers out of the chemistry lab to build their own remote operated vehicle (ROV). These are used in environmental chemistry research to collect samples and measure the properties of natural waters. After constructing their ROVs, campers successfully tested them in the VSU fountain.

Congratulations to our graduates! We are extremely proud of our excellent students. We wish each of them the greatest success and happiness in the next step of their lives. Our graduates are moving on to pharmacy school, chemistry graduate school, medical school, and careers in forensics, education, and many other fields. We will miss you and hope that you keep in touch.

In the picture to the right, students pose with the remote operated vehicle (ROV) that they built to perform the water quality measurements. These types of activities let students develop and demonstrate new skills and learn how to perform chemistry in a more challenging, real-world setting.

Chemistry alumna Donna Law is Teacher of the Year! Ms. Donna Law was awarded Teacher of the Year honors at James Madison Preparatory High School (JMPHS). She teaches physical science, biology, anatomy and chemistry. Faculty remember Donna for being active in department activities and as a Noyce Scholar. Congrats Donna!

VSU Celebrates National Chemistry Week! Although students and faculty are practicing social distancing and avoiding large gatherings, nothing can stop us from celebrating Science Saturday and National Chemistry Week. Dr. de la Garza and SMACS students brought chemistry to home- and virtually schooled students by preparing a series of educational and fun videos. Using household ingredients with the help of their parents, young viewers can perform their own chemistry experiments. Sticking with Chemistry and Disappearing Water videos are available on YouTube. Nice work, Dr. de la Garza!

Although density functional theory is widely used in the computational chemistry community, the most popular density functional, B3LYP, has some serious shortcomings: (i) it is better for main-group chemistry than for transition metals; (ii) it systematically underestimates reaction barrier heights; (iii) it is inaccurate for interactions dominated by medium-range correlation energy, such as van der Waals attraction, aromatic-aromatic stacking, and alkane isomerization energies. We have developed a variety of databases for testing and designing new density functionals. We used these data to design new density functionals, called M06-class (and, earlier, M05-class) functionals, for which we enforced some fundamental exact constraints such as the uniform-electron-gas limit and the absence of self-correlation energy. Our M06-class functionals depend on spin-up and spin-down electron densities (i.e., spin densities), spin density gradients, spin kinetic energy densities, and, for nonlocal (also called hybrid) functionals, Hartree-Fock exchange. We have developed four new functionals that overcome the above-mentioned difficulties: (a) M06, a hybrid meta functional, is a functional with good accuracy "across-the-board" for transition metals, main group thermochemistry, medium-range correlation energy, and barrier heights; (b) M06-2X, another hybrid meta functional, is not good for transition metals but has excellent performance for main group chemistry, predicts accurate valence and Rydberg electronic excitation energies, and is an excellent functional for aromatic-aromatic stacking interactions; (c) M06-L is not as accurate as M06 for barrier heights but is the most accurate functional for transition metals and is the only local functional (no Hartree-Fock exchange) with better across-the-board average performance than B3LYP; this is very important because only local functionals are affordable for many demanding applications on very large systems; (d) M06-HF has good performance for valence, Rydberg, and charge transfer excited states with minimal sacrifice of ground-state accuracy. In this Account, we compared the performance of the M06-class functionals and one M05-class functional (M05-2X) to that of some popular functionals for diverse databases and their performance on several difficult cases. The tests include barrier heights, conformational energy, and the trend in bond dissociation energies of Grubbs' ruthenium catalysts for olefin metathesis. Based on these tests, we recommend (1) the M06-2X, BMK, and M05-2X functionals for main-group thermochemistry and kinetics, (2) M06-2X and M06 for systems where main-group thermochemistry, kinetics, and noncovalent interactions are all important, (3) M06-L and M06 for transition metal thermochemistry, (4) M06 for problems involving multireference rearrangements or reactions where both organic and transition-metal bonds are formed or broken, (5) M06-2X, M05-2X, M06-HF, M06, and M06-L for the study of noncovalent interactions, (6) M06-HF when the use of full Hartree-Fock exchange is important, for example, to avoid the error of self-interaction at long-range, (7) M06-L when a local functional is required, because a local functional has much lower cost for large systems. ff782bc1db

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