Graduate Student
Phone number: 435.797.7507Email address: alexandrova@cc.usu.edu
Mailing Address:
0300 Old Main Hill
Department of Chemistry and Biochemistry
Logan UT 84322-0300
With Dr. Boldyrev I've been working on the theory of chemical bonding (in everything of our interest).
Namely, we moved the concept of multiple aromaticity and antiaromaticity to inorganic chemistry, believing that aromaticity is one of the major stabilizing effects people have ever known.
I also developed a first version of GEGA (The Gradient Embedded genetic Algorithm), a C++ program performing an Ab Initio Genetic Algorithm search for global minima of clusters.
In 2000 I earned my Master's degree at Saratov State University, Saratov, Russia.
I defended my Ph.D. on March 10, 2005.
Since July 1, 2005 I am a postoctoral assosiate at Yale (Professor Jorgensen's group).
You are wellcome to take a look at our Boron News page.
On this page you also may find my
List of Publications
List of Presentations
Professional experience
Awards and Honors
Hobbies
Awards and Honors
1998-1999 Russian Federation Scholarship, for outstanding scientific and academic achievements #69.
1999-2000 Russian Federation Scholarship, for outstanding scientific and academic achievements #111.
2000 Winner of the Russia-Regional Undergraduate Olympiad in chemistry.
2000 Master of Science Diploma with Excelency.
2003 Department of Chemistry & Biochemistry Alumni Research Award.
2003 - 2004 The National Dean List.
2004 The Certificate of Recognition from the American Chemical Society for an Extraordinary Contribution to the Success of the 59th Northwest / 18th Rocky Mountain Regional ACS Meeting.
2004 Poster Award (59th Northwest / 18th Rocky Mountain Regional ACS Meeting).
2004 The Summer Research Institute Fellowship in Interfacial and Condensed Phase Chemical Physics (Battelle Memorial Institute, operator of the Pacific Northwest National Laboratory for the U.S. Department of Energy).
2004 - 2005 The one-year sponsored membership in AAAS/Science (the AAAS/Science Program for Excellence in Science).
2004 - 2005 Claude E. ZoBell Scholarship (College of Science, Utah State University) - for a superior ability to encourage further scientific pursuits at Utah State University.
2004 - 2005 USU School of Graduate Studies Dissertation Fellowship
2005 The Excellence Award from the Chemical Computing Group of the American Chemical Society.
2004 - 2005 The Chancellor's List.
2005 The College of Science Graduate Researcher of the Year 2005.
2005 The Utah State University Robins Award "Research Assistant of the Year 2005".
Click here to listen the secret of research success.
Hobbies
1. Yoga
2. In 1995 I earned my "Master of Sport" degree in gymnastics. Now coaching gymnastics and professional dancing are my additional professions and a bit of a hobby.
3. Writing poetry
4. Some drawing, just for fun. Whould you like to see?
List of Publications
| 17. | to be announced. |
|---|---|
| Anastassia N. Alexandrova, Alexander I. Boldyrev | |
| Inorg. Chem., manuscript in preparation. | |
| 16. | Boron Clusters as Potential New Inorganic Ligands. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Bhagavarapu Kiran, Lai-Sheng Wang | |
| Coord. Chem. Rev., manuscript in preparation. | |
| 15. | Search for the Lix0/+1/-1 Lowest Energy StructurescUsing Ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical Bonding in the Lithium Clusters. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev | |
| J. Chem. Theory Comput., 2005, accepted. | |
| 14. | Theoretical Study of Hydrogenation of Doubly-Aromatic B7-. |
| Anastassia N. Alexandrova, Eldon Koyle, Alexander I. Boldyrev | |
| J. Mol. Model., 2005, submitted. | |
| 13. | Photoelectron Spectroscopy and An Initio Study of the Doubly-Antiaromatic B62- Dianion in the LiB6- Cluster. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng Wang | |
| J. Chem. Phys., 122, 054313, 2005. | |
| 12. | Cu3C4- - A New Sandwich Molecule with Two Revolving C22- Units. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng Wang | |
| J. Phys. Chem., 2005, 109, 562-570. | |
| 11. | Structure of the NaxClx+1- (x=1-4) Clusters via Ab Initio Genetic Algorithm and Photoelectron Spectroscopy. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, You-Jun Fu, Xin Yang, Xue-Bin Wang, Lai-Sheng Wang. | |
| J. Chem. Phys., 2004, 121, 12, 5709. | |
| 10. | Molecular Wheel B82- as a New Inorganic Ligand. Photoelectron Spectroscopy and Ab Initio Characterization of LiB8-. |
| Anastassia N. Alexandrova, Hua-Jin Zhai, Lai-Sheng Wang, Alexander I. Boldyrev | |
| Inorg. Chem. Communication, 2004, 43, 3552-3554. | |
| 9. | Arachno-, Nido- and Closo-Aromatic Isomers of the Li6B6H6 Molecule. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev | |
| Inorg. Chem., 2004, 43, 3588-3592. | |
| 8. | Electronic Structure, Isomerism, and Chemical Bonding in B7- and B7. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng Wang | |
| J. Phys. Chem., 108, 3509-3517, 2004. | |
| 7. | Hepta- and Octacoordinate Boron in Molecular Wheels of Eight- and Nine-Atom Boron Clusters: Observation and Confirmation. |
| Hua-Jin Zhai, Anastassia N. Alexandrova, Alexander K. Birch, Lai-Sheng Wang, Alexander I. Boldyrev | |
| Angew. Chem. Int. Ed., 2003, 42, 6004-6008. | |
| 6. | Photoelectron Spectroscopy and Ab Initio Study of B3- and B4- Anions and Their Neutrals. |
| Hua-Jin Zhai, Lai-Sheng Wang, Anastassia N. Alexandrova, Alexander I. Boldyrev, V. G. Zakrzewski | |
| J. Phys. Chem., 2003, 107, 9319-9328. | |
| 5. | Flattening the B6H62- Octahedron. Ab Initio Prediction of the New Family of Planar All-Boron Aromatic Molecules. |
| Anastassia N. Alexandrova, K. Alexander Birch, Alexander I. Boldyrev | |
| J. Am. Chem. Soc. Communications, 2003, 125, 10786-10787. | |
| 4. | Hydrogen Trioxide Anion: A Possible Atmospheric Intermediate and Path of Oxygen-Rich Molecules. |
| Ben Elliott, Anastassia N. Alexandrova and Alexander I. Boldyrev | |
| J. Phys. Chem., 2003, 107, 1203-1206 | |
| 3. | Sigma-Aromaticity and Sigma-Antiaromaticiy in Alkaline Metal and Alkaline Earth Metal Small Clusters |
| Anastassia N. Alexandrova, Alexander I. Boldyrev | |
| J. Phys. Chem.,107, 554-560, 2003. | |
| 2. | Stucture and Bonding in B6- and B6: Planarity and Antiaromaticity |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng Wang, Erich Steiner, Patrick W. Fowler | |
| J. Phys. Chem., 107, 1359-1369, 2003. | |
| 1. | Electronic Structure and Chemical Bonding of B5- and B5 by Photoelectron Spectroscopy and Ab Iinitio Calculations. |
| Hau-Jin Zhai, Lai-Sheng Wang, Anastassia N. Alexandrova, Alexander I. Boldyrev. | |
| J. Chem. Phys. 117, 17, 7917, 2002. | |
See what the C&EN writes about our work: BORON FLAT OUT
STEPHEN K. RITTER
Chemical & Engineering News, March 1, 2004, Volume 82, Number 09.
List of Presentations
| 9. | Ab Initio Genetic Algorithm Based Elucidation of Multiply Aromatic Clusters. |
|---|---|
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua Jin Zhai, Lai-Sheng Wang | |
| 229th ACS National Meeting, San Diego, CA, March 13-17, 2005. | |
| 8. | Oxygen Rich Species: Areas of Growth and Advancement. |
| Ben Elliott, Alexander I. Boldyrev, Anastassia N. Alexandrova, Hua Jin Zhai, Xin Yang, Xuebin Wang, Lai-Sheng Wang | |
| 229th ACS National Meeting, San Diego, CA, March 13-17, 2005. | |
| 7. | Multiply Aromatic Clusters Via Ab Initio Genetic Algorithm. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng, Wang. | |
| Winter School in Theoretical Chemistry 2004, Helsinki, Finland, December, 2004. | |
| 6. | The Genetic Algorithm Based Elucidation of the Structure of the Multiply-Aromatic Clusters of Main Group Elements. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev. | |
| 85th Meeting of the AAAS Pacific Devision, Logan, UT, June, 2004. | |
| 5. | The Genetic Algorithm Based Elucidation of the Structure of the σ-Aromatic and σ-Antitiaromatic Clusters of Main Group Elements. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev. | |
| 59th Joint Regional Meeting of the Northwest and Rocky Mountain Sections of the American Chemical Society, Logan, UT, June 2004. | |
| 4. | σ-Aromaticity and σ-Antiaromaticity in Small Clusters of Boron, Lithium and Magnesium. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hau-Jin Zhai, Lai-Sheng Wang. | |
| 227th ACS Meeting and Exposition, Anaheim, CA, March, 2004. | |
| 3. | Multiply Aromatic Small Boron Clusters as New Inorganic Ligands. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hau-Jin Zhai, Lai-Sheng Wang. | |
| 20th Symposium on Molecular Structure, Austin, TX, March, 2004. | |
| 2. | Designing Oxygen-Rich Species: Combining ab initio Calculations and Experimant. |
| Ben Elliott, Anastassia N. Alexandrova, Alexander I. Boldyrev, Hau-Jin Zhai, Xin Yang, Xue-Bin Wang, Lai-Sheng Wang. | |
| 20th Symposium on Molecular Structure, Austin, TX, March, 2004. | |
| 1. | Aromaticity and Antiaromaticity in Small Boron Clusters and Related Compounds. |
| Anastassia N. Alexandrova, Alexander I. Boldyrev, Hau-Jin Zhai, Lai-Sheng Wang. | |
| 225th ACS Meeting and Exposition, New Orleans, LA, USA. March, 2003. | |
Professional Experience
1997 - 1998 - Organic Synthesis toward compounds with properties of antioxidants at the Organic Chemisty Laboratory lead by Professor Krivenko (Saratov State University, Saratov, Russia)1997 - 1998 - Development of detective reations of cencerogenic nitrozoamines and their metabolic precoursors at the Analytical Chemistry Laboratory lead by Professor Chernova (Saratov State University, Saratov, Russia)
1999 - 2000 - Study of sorption processes on the synthetic fibrous sorbents for the purification of natural waters at the Analytical Chemistry Laboratory lead by Dr. Kozlova (Saratov State University, Saratov, Russia)
May 2004 - Schrodinger User Group Meeting on the modern aspects of computational drug design
Summer 2004 - Summer Research Program at the Environmental Molecular Sciences Laboratory (Pacific Northwest National Lab, Richland, WA, USA).
2002 - 1210 General Chemistry Lab
2003 - 1230 General Chemistry Lab, part IITeaching Experience
2001 - part of the Spectroscopy Class for senior students of the Chemistry Department (Saratov State University), Saratov, Russia (lecturing)
Favorite Quote
Go one more mile...