crawford.chem.vt.edu

The Crawford Lab @ Virginia Tech

Our research group focuses on the development of state-of-the-art quantum chemical models, particularly many-body methods such as perturbation theory and coupled cluster theory. We are among the principal developers of the PSI. Suite of quantum chemical programs. Some of our current projects. Methods for computing chiroptical properties, such as optical rotation angles and circular dichroism spectra. The impact of solvent on molecular spectroscopic properties. Photochemical reactions of radical species.

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The Crawford Lab @ Virginia Tech | crawford.chem.vt.edu Reviews

<META> DESCRIPTION

Our research group focuses on the development of state-of-the-art quantum chemical models, particularly many-body methods such as perturbation theory and coupled cluster theory. We are among the principal developers of the PSI. Suite of quantum chemical programs. Some of our current projects. Methods for computing chiroptical properties, such as optical rotation angles and circular dichroism spectra. The impact of solvent on molecular spectroscopic properties. Photochemical reactions of radical species.

<META> KEYWORDS

1 welcome

2 include

3 october december 2015

4 and juergen gauss

5 and fabrizio santoro

6 and gave lectures

7 cecilia clementi

8 in computational chemistry

9 on october 6th

10 and michele pavanello

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welcome,include,october december 2015,and juergen gauss,and fabrizio santoro,and gave lectures,cecilia clementi,in computational chemistry,on october 6th,and michele pavanello,of purdue u,held at sc13,and xiaosong li,hosted the visit,program,on the work

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The Crawford Lab @ Virginia Tech | crawford.chem.vt.edu Reviews

https://crawford.chem.vt.edu

Our research group focuses on the development of state-of-the-art quantum chemical models, particularly many-body methods such as perturbation theory and coupled cluster theory. We are among the principal developers of the PSI. Suite of quantum chemical programs. Some of our current projects. Methods for computing chiroptical properties, such as optical rotation angles and circular dichroism spectra. The impact of solvent on molecular spectroscopic properties. Photochemical reactions of radical species.

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crawford.chem.vt.edu

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The Crawford Lab @ Virginia Tech: Publications

http://www.crawford.chem.vt.edu/pubs.html

High-Accuracy Quantum Chemistry and Chiroptical Properties. TD Crawford, in Comprehensive Chiroptical Spectroscopy. N Berova, K. Nakanishi, R. Woody, and P. Polavarapu, eds., Wiley and Sons, vol. 1, pp. 675-697, 2012. Electronically Excited States in Interstellar Chemistry. RC Fortenberry and T.D. Crawford, in Ann. Rep. Comp. Chem. 195-214 (2011). ( doi:. Reduced-Scaling Coupled-Cluster Theory for Response Properties of Large Molecules. Calculation of Molecular Chiroptical Properties. In press. ( doi:.

2

The Crawford Lab @ Virginia Tech: PSI3 Workshop 2007

http://www.crawford.chem.vt.edu/psi_workshop_2007

PSI3 Workshop, July 2007. The talks updating each of the developers' recent work were truly riveting, although one person wasn't paying full attention, as you can see in the upper-right shot. Ed Valeev (lower left) took up his coffee habit again during the workshop, and Steve Arnstein (lower right) of the Georgia Tech group gave a nice talk on their latest stuff. Blacksburg, Virginia 24061.

3

The Crawford Lab @ Virginia Tech: Lake Russell, Georgia 2007

http://www.crawford.chem.vt.edu/psi_workshop_2007/russell.html

Lake Russell, Georgia July 2007. Wes and his son, Andrew (upper left) handled the driving, while the rest of the crew (Emily and Cecilia, upper right), Alexander (lower left), and Mary (lower right), enjoyed the ride. You can see Wes's wife, Ann and their daughter, Ashley, on the tube in the background in two of the shots. Then we tried out the "tube of death" ourselves. Mary and I (upper left) and Emily and Alexander (upper right) had a go, before I risked life and limb alone. Blacksburg, Virginia 24061.

4

The Crawford Lab @ Virginia Tech: Teaching

http://www.crawford.chem.vt.edu/teaching.html

Prof Crawford's Teaching History. General Chemistry Lab. (Majors). Physical Chemistry (Life Sci.). Physical Chemistry (Life Sci.). Blacksburg, Virginia 24061.

5

The Crawford Lab @ Virginia Tech: Curriculum Vitae

http://www.crawford.chem.vt.edu/cv.html

Academic Background and Positions. BS in Chemistry and Mathematics. PhD in Physical Chemistry. Departments of Chemistry and Biochemistry. University of Texas, Austin. Fellow of the American Chemical Society. Alumni Award for Excellence in Research. James A. Viers Faculty Teaching Award. Dirac Medal of the World Association of Theoretical and Computational Chemists. John C. Schug Faculty Research Award. Virginia Tech Certificate of Teaching Excellence. E Gary Cook Faculty Teaching Award.

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astro.phys-acs.org

The Astrochemistry Subdivision of the American Chemical Society

http://astro.phys-acs.org/graduate.html

Graduate School Faculty Researchers. Laboratory Astrochemistry and Observation. Susanna.widicus.weaver@emory.edu. Department of Chemistry and Biochemistry. Harvard University/Harvard-Smithsonian Center for Astrophysics. Ralf I. Kaiser. University of Hawaii at Manoa. Geoffrey A. Blake. School of Chemistry and Biochemistry. Thomas.orlando@chemistry.gatech.edu. Michael A. Duncan. Kyle M. Crabtree. Departments of Chemistry and Astronomy. Ryan C. Fortenberry. Joel M. Bowman. Research Groups at Large.

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crawford.chem.vt.edu

The Crawford Lab @ Virginia Tech

Our research group focuses on the development of state-of-the-art quantum chemical models, particularly many-body methods such as perturbation theory and coupled cluster theory. We are among the principal developers of the PSI. Suite of quantum chemical programs. Some of our current projects. Methods for computing chiroptical properties, such as optical rotation angles and circular dichroism spectra. The impact of solvent on molecular spectroscopic properties. Photochemical reactions of radical species.

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