# Professor Jeffrey Reimers

### Biography

So much the interest today is in interdisciplinary fields between traditional fields like chemistry, physics, biochemistry, electrical engineering, materials science, and computer science, yet so many fundamental questions remain open in each field. My passion has always been to solve fundamental challenges, yet solving these challenges often leads to new and unexpected science and technology.

Chemistry is “The Central Science”, or so they say. For me, this could not be truer. How else can one be working on century-old problems like “why ammonia (NH3) has a bond angle of 108° whilst PH3 and the rest of the series down to BiH3 have angles between 91° to 93°?” one day, how chlorophyll absorbs light the next, qubit design for quantum computing the next, the origin of intelligence the next, single-molecule device design the next, and software design for semiconductor manufacturers the next?

Many people have influenced my career, from daring and creative spectroscopists like Gad Fischer, Ian Ross, Elmars Krausz and Kent Wilson to Bob Watts and has radical ideas that classical computer simulations could model complex systems like water, to people who forged the connections between the quantum and classical universes like Rick Heller, to the inventor of electron-transfer theory and finite field computation techniques like Noel Hush and pioneers of modern chemistry like David Craig, to synthetic chemists that made functional molecules that no one could believe possible like Max Crossley, to some of the best young minds of today like Daniel Kosov, Gemma Solomon, Jun Zeng, Laura McKemmish, Lars Goerigk, and Soren Wohlthat. In every case, I learnt the importance of putting fundamentals first.

Since moving to joint appointments at UTS and Shanghai University in 2014, I have been strengthening the links between these two young and rapidly raising institutions in the areas of chemistry, physics, and materials science. The resources of the two universities are complimentary and provide the setting for taking on some of the most difficult challenges today facing chemical understanding and application.

My work has been widely recognized throughout the community, from distinguished fellowships such as that of the Australian Academy of Science (FAA) to the David Craig Medal for Chemistry in 2016 to national awards from the Royal Australian Chemical Institute to many citations in the popular press to being quoted by Sheldon in “The Big Bang Theory” TV show Season 3, Episode 11.

### Professional

**Society Membership**

Fellow, Australian Academy of Science

Fellow, Royal Australian Chemical Institute

Member, Materials Australia

Member, American Chemical Society

Member, American Physical Society

**Professor,**School of Mathematical and Physical Sciences

**Core Member,**MTEE - Materials and Technology for Energy Efficiency

**ORCID**

### Research Interests

Current research is based mainly at Shanghai University but presents many opportunities for involvement of UTS students. It focuses on:

1) Development of methods for protein structure refinement from X-ray, neutron scattering, or Cryo-EM data using quantum chemical treatment of the atoms and full atomic representations of amorphous regions. These new methods are being implemented into the PHENIX biomolecular structure package with 15,000 worldwide users. Experimental collaborators with new and difficult structures are encouraged. Research projects include coding and/or development of new algorithms, and structure solution.

2) Understanding low-energy excited states in photosynthesis. Most photosynthetic systems involved in solar light harvesting, including critical ones in green plants like photosystem-I and photosystem-II, show low-energy absorptions that often can contribute to primary charge separation and solar energy capture despite being too low in energy to contribute via excepted photosynthetic mechanisms. This project involves interpreting a wide range of spectroscopic data to determine what is going on, focusing first on the simplest systems. This work is in collaboration with Elmars Kraus at the Australian National University and with Arvi Freiberg at Tartu University in Estonia.

3) Nuclear and electronic structure of materials and surfaces with modern applications. This work is in collaboration with experimentalists at UTS like Milos Toth and theoreticians like Mike Ford, as well as with the theoreticians Noel Hush at Sydney University, Daniel Kosov at James Cook University, Wei Ren, Jingzhe Chen, YongLe Li, and Liu Yi at Shanghai University, and Hong Guo at McGill University Canada. Surfaces can be modified in many ways through lithography techniques, and monolayers can be self assembled on them. Diamond, graphite, silicon, and gold surfaces are all of current interest. In many cases the surfaces conduct electricity or show interesting magnetic properties, and the connection between structure and function is always paramount. The relationship between quantum and classical transport is critical.

Chemical bonding, quantum chemistry, kinetics, spectroscopy, thermodynamics, optics.

## Books

*Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology*.

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*Preface: Choosing the Right Method for Your Problem*.

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## Chapters

*Quantum Simulations of Materials and Biological Systems*, pp. 87-120.

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*Artificial Photosynthesis: From Basic Biology to Industrial Application*, pp. 109-126.

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*Properties of Single Organic Molecules on Crystal Surfaces*, pp. 333-360.

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## Conferences

*AIP Conference Proceedings*, International Conference of Computational Methods in Sciences and Engineering 2014, American Institute of Physics, Athens, GREECE, pp. 18-22.

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*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*.

*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*.

*Optics InfoBase Conference Papers*, pp. 737-739.

*Optics InfoBase Conference Papers*, pp. 734-736.

*2008 JOINT CONFERENCE OF THE OPTO-ELECTRONICS AND COMMUNICATIONS CONFERENCE AND THE AUSTRALIAN CONFERENCE ON OPTICAL FIBRE TECHNOLOGY, VOLS 1 AND 2*, pp. 361-362.

*Progress in Nonequilibrium Green's Functions III*, pp. 349-356.

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*Nonequilibrium Carrier Dynamics in Semiconductors Proceedings*, pp. 183-186.

*BIOPHYSICAL JOURNAL*, pp. 510A-510A.

*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*, pp. U1028-U1028.

*Annals of the New York Academy of Sciences*.

*MOLECULAR ELECTRONICS - SCIENCE AND TECHNOLOGY*, pp. 11-27.

*MIXED VALENCY SYSTEMS : APPLICATIONS IN CHEMISTRY, PHYSICS AND BIOLOGY*, pp. 29-50.

*ELECTRON TRANSFER IN BIOLOGY AND THE SOLID STATE*, pp. 27-63.

## Journal articles

*Molecular Simulation*, vol. 42, no. 6-7, pp. 494-510.

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*Journal of Physical Chemistry C*, vol. 120, no. 3, pp. 1739-1748.

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*Proceedings of the National Academy of Sciences of the United States of America*, vol. 113, no. 11, pp. E1424-E1433.

*Biochimica et biophysica acta*, vol. 1857, no. 9, pp. 1627-1640.

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*Chemical Science*, vol. 7, no. 10, pp. 6534-6550.

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*Dansk Kemi*, vol. 97, no. 8, pp. 20-23.

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*The Journal of chemical physics*, vol. 142, no. 1, p. 014301.

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*CHEMPHYSCHEM*, vol. 16, no. 5, pp. 928-932.

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*Molecular Physics*, vol. 113, no. 13-14, pp. 1648-1654.

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*Physical chemistry chemical physics : PCCP*, vol. 17, no. 38, pp. 24666-24682.

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*Australian Journal of Chemistry*, vol. 68, no. 8, pp. 1202-1212.

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*Physical Chemistry Chemical Physics*, vol. 17, no. 38, pp. 24598-24617.

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*Physical Chemistry Chemical Physics*, vol. 17, no. 38, pp. 24641-24665.

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*Physical Chemistry Chemical Physics*, vol. 17, no. 38, pp. 24618-24640.

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*Proceedings of the National Academy of Sciences of the United States of America*, vol. 112, no. 45, pp. E6101-E6110.

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*Physical Chemistry Chemical Physics*, vol. 16, no. 6, pp. 2323-2330.

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*Journal of Migration and Society*, vol. 11, no. 1, pp. 101-103.

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*Physical Chemistry Chemical Physics*, vol. 16, no. 6, pp. 2315-2322.

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*The journal of physical chemistry. B*, vol. 118, no. 50, pp. 14612-14626.

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*Journal of the American Chemical Society*, vol. 136, no. 49, pp. 17087-17094.

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*Physical Chemistry Chemical Physics*, vol. 15, no. 30, pp. 12451-12458.

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*Journal Of Chemical Theory And Computation*, vol. 9, no. 7, pp. 3240-3251.

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*Scientific Report*, vol. 3, pp. 1-8.

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*Nanotechnology*, vol. 24, no. 50.

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*Chemical Science*, vol. 3, no. 1, pp. 257-269.

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*Theoretical Chemistry Accounts*, vol. 131, no. 1.

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*Australian Journal Of Chemistry*, vol. 65, no. 5, pp. 512-519.

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*Physical Chemistry Chemical Physics*, vol. 14, no. 25, pp. 8791-8802.

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*Journal Of Physical Chemistry C*, vol. 116, no. 28, pp. 14826-14836.

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*AUSTRALIAN JOURNAL OF CHEMISTRY*, vol. 65, no. 5, pp. 439-441.

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*Journal of Chemical Physics*, vol. 134, no. 2.

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*Journal of Physical Chemistry Letters*, vol. 2, no. 2, pp. 62-66.

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*Journal Of Physical Chemistry C*, vol. 115, no. 21, pp. 10630-10639.

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*Organic Letters*, vol. 13, no. 18, pp. 4770-4773.

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*Journal Of The American Chemical Society*, vol. 133, no. 38, pp. 14856-14859.

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*Theoretical Chemistry Accounts*, vol. 130, no. 4-Jun, pp. 815-828.

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*Journal of Chemical Physics*, vol. 135, no. 24.

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*INORGANIC CHEMISTRY*, vol. 50, no. 4, pp. 1498-1505.

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*Journal of the American Chemical Society*, vol. 132, no. 24, pp. 8378-8384.

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*Physical Review B*, vol. 81, no. 19, p. 195125.

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*Journal of Physical Chemistry Letters*, vol. 1, no. 19, pp. 2858-2862.

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*Dalton Transactions*, vol. -, no. 25, pp. 4896-4900.

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*Journal of the American Chemical Society*, vol. 131, no. 8, pp. 2925-2933.

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*Proceedings of The National Academy of Sciences of the United States of America*, vol. 106, no. 11, pp. 4219-4224.

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*Physical Review E*, vol. 80, no. 2.

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*Journal of Physical Chemistry C*, vol. 113, no. 36, pp. 16094-16103.

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*Journal Of Physical Chemistry C*, vol. 113, no. 45, pp. 19601-19608.

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*Journal Of Physical Chemistry C*, vol. 113, no. 47, pp. 20458-20462.

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*Physical review. E, Statistical, nonlinear, and soft matter physics*, vol. 80, no. 2 Pt 1, p. 021912.

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*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*, vol. 238.

*New Journal of Chemistry*, vol. 32, no. 2, pp. 340-352.

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*Physical Chemistry Chemical Physics*, vol. 10, no. 4, pp. 515-527.

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*Royal Society of London. Philosophical Transactions A. Mathematical, Physical and Engineering Sciences*, vol. 366, no. 1862, pp. 15-31.

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*Journal of Physical Chemistry A*, vol. 112, no. 3, pp. 556-570.

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*Chemical Physics Letters*, vol. 454, no. 4-6, pp. 284-288.

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*Journal Of Physics: Condensed Matter*, vol. 20, no. 29, p. 295208.

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*PHYSICAL CHEMISTRY CHEMICAL PHYSICS*, vol. 10, no. 4, pp. 515-527.

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*Physical Chemistry Chemical Physics*, vol. 10, no. 48, p. 7328.

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*Physical Chemistry Chemical Physics*, vol. 9, no. 38, pp. 5260-5266.

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*Journal Of Physical Chemistry A*, vol. 111, no. 5, pp. 954-962.

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*Journal Of Physical Chemistry C*, vol. 111, no. 9, pp. 3700-3704.

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*Physical Review B*, vol. 75, no. 17.

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*Physical Review B*, vol. 75, no. 23.

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*Journal Of Chemical Physics*, vol. 126, no. 21.

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*Journal Of Physical Chemistry C*, vol. 111, no. 28, pp. 10427-10437.

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*Journal Of Physical Chemistry C*, vol. 111, no. 29, pp. 10878-10885.

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*Journal Of Physical Chemistry B*, vol. 111, no. 30, pp. 8762-8774.

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*Journal Of Physical Chemistry B*, vol. 111, no. 33, pp. 9923-9930.

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*Journal Of The American Chemical Society*, vol. 129, no. 34, pp. 10402-10407.

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*Journal Of Physical Chemistry C*, vol. 111, no. 42, pp. 15415-15426.

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*Journal Of Physical Chemistry C*, vol. 111, no. 46, pp. 17285-17296.

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*JOURNAL OF PHYSICAL CHEMISTRY A*, vol. 111, no. 26, pp. 5692-5702.

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*JOURNAL OF PHYSICAL CHEMISTRY A*, vol. 111, no. 26, pp. 5743-5750.

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*JOURNAL OF THE AMERICAN CHEMICAL SOCIETY*, vol. 129, no. 47, pp. 14532-+.

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*Journal Of Chemical Theory And Computation*, vol. 2, no. 4, pp. 1093-1105.

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*Journal Of Chemical Physics*, vol. 124, no. 2.

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*Journal Of Chemical Physics*, vol. 124, no. 9.

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*Chemical Physics*, vol. 326, no. 1, pp. 188-196.

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*Journal Of Chemical Theory And Computation*, vol. 2, no. 4, pp. 1093-1105.

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*Journal Of Physical Chemistry B*, vol. 110, no. 31, pp. 15624-15632.

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*Journal Of Physical Chemistry B*, vol. 110, no. 37, pp. 18688-18702.

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*Nano Letters*, vol. 6, no. 11, pp. 2431-2437.

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*Journal Of Chemical Physics*, vol. 125, no. 18.

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*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*, vol. 232, pp. 263-263.

*CHEMICAL PHYSICS*, vol. 324, no. 1, pp. 1-2.

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*CHEMICAL PHYSICS*, vol. 326, no. 1, pp. 1-2.

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*Molecular Physics*, vol. 103, no. 6-Aug, pp. 1057-1065.

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*Journal Of Physical Chemistry A*, vol. 109, no. 8, pp. 1576-1586.

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*Journal Of Chemical Physics*, vol. 122, no. 22.

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*Journal Of Physical Chemistry B*, vol. 109, no. 32, pp. 15355-15367.

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*Chemical Physics*, vol. 319, no. 1-Mar, pp. 39-51.

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*JOURNAL OF CHEMICAL PHYSICS*, vol. 122, no. 9.

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*Journal Of Physical Chemistry B*, vol. 108, no. 5, pp. 1753-1765.

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*Chemical Physics Letters*, vol. 385, no. 5-Jun, pp. 341-344.

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*Nanotechnology*, vol. 15, no. 3, pp. 324-332.

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*Chemical Physics*, vol. 299, no. 1, pp. 79-82.

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*Surface Review And Letters*, vol. 11, no. 2, pp. 185-190.

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*Journal Of The American Chemical Society*, vol. 126, no. 13, pp. 4132-4144.

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*Nanotechnology*, vol. 15, no. 9, pp. 1226-1232.

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*Journal Of Physical Chemistry A*, vol. 108, no. 40, pp. 8434-8438.

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*Journal Of Chemical Physics*, vol. 121, no. 14, pp. 6615-6627.

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*Journal Of Chemical Physics*, vol. 121, no. 24, pp. 12208-12216.

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*AUSTRALIAN JOURNAL OF CHEMISTRY*, vol. 57, no. 12, pp. 1133-1138.

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*Organic & Biomolecular Chemistry*, vol. 1, no. 15, pp. 2777-2787.

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*Journal Of Physical Chemistry A*, vol. 107, no. 17, pp. 3093-3106.

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*Photochemistry And Photobiology*, vol. 77, no. 6, pp. 628-637.

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*Journal Of Chemical Physics*, vol. 119, no. 2, pp. 1115-1126.

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*Journal Of Chemical Physics*, vol. 119, no. 6, pp. 3240-3248.

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*Journal Of Chemical Physics*, vol. 119, no. 6, pp. 3249-3261.

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*Journal Of Chemical Physics*, vol. 119, no. 6, pp. 3262-3277.

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*Chemical Physics Letters*, vol. 378, no. 5-Jun, pp. 654-659.

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*MOLECULAR ELECTRONICS III*, vol. 1006, pp. 235-251.

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*Journal Of Porphyrins And Phthalocyanines*, vol. 6, no. 11-Dec, pp. 795-805.

*Journal Of Chemical Physics*, vol. 116, no. 20, pp. 8981-8987.

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*Journal Of Chemical Physics*, vol. 116, no. 23, pp. 10277-10286.

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*Journal Of The American Chemical Society*, vol. 124, no. 31, pp. 9299-9309.

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*Journal Of Physical Chemistry A*, vol. 106, no. 37, pp. 8769-8778.

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*Journal Of Chemical Physics*, vol. 117, no. 12, pp. 5543-5549.

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*International Journal Of Quantum Chemistry*, vol. 90, no. 1, pp. 424-438.

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*MOLECULAR ELECTRONICS II*, vol. 960, pp. 100-130.

*JOURNAL OF PORPHYRINS AND PHTHALOCYANINES*, vol. 6, no. 11-12, pp. 795-805.

*JOURNAL OF PHYSICAL CHEMISTRY B*, vol. 106, no. 26, pp. 6740-6747.

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*Journal Of The Chemical Society-Dalton Transactions*, no. 5, pp. 614-620.

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*Journal Of Physical Chemistry A*, vol. 105, no. 26, pp. 6567-6574.

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*Journal Of The American Chemical Society*, vol. 123, no. 35, pp. 8550-8563.

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*Journal Of Physical Chemistry B*, vol. 105, no. 37, pp. 8979-8988.

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*Journal Of Chemical Physics*, vol. 115, no. 20, pp. 9103-9109.

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*Journal of Physical Chemistry B*, vol. 105, no. 37, pp. 8979-8988.

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*Journal of the Chemical Society, Dalton Transactions*, no. 5, pp. 633-638.

*Journal Of Chemical Physics*, vol. 112, no. 2, pp. 527-530.

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*Journal Of Chemical Physics*, vol. 112, no. 3, pp. 1510-1521.

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*Journal Of Physical Chemistry A*, vol. 104, no. 21, pp. 5087-5092.

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*Journal Of Physical Chemistry A*, vol. 104, no. 36, pp. 8389-8408.

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*Biochemistry*, vol. 39, no. 51, pp. 16185-16189.

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*INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY*, vol. 80, no. 6, pp. 1224-1243.

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*CHEMICAL REVIEWS*, vol. 100, no. 2, pp. 775-786.

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*JOURNAL OF CHEMICAL PHYSICS*, vol. 113, no. 17, pp. 7084-7096.

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*Journal Of The American Chemical Society*, vol. 121, no. 15, pp. 3730-3744.

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*Journal Of Physical Chemistry A*, vol. 103, no. 16, pp. 3066-3072.

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*Journal Of Physical Chemistry A*, vol. 103, no. 16, pp. 3089-3096.

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*Journal Of Physical Chemistry A*, vol. 103, no. 22, pp. 4385-4397.

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*Journal Of Physical Chemistry B*, vol. 103, no. 23, pp. 4906-4915.

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*Journal Of Physical Chemistry A*, vol. 103, no. 48, pp. 9821-9829.

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*Journal Of Physical Chemistry A*, vol. 103, no. 48, pp. 9830-9841.

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*Journal Of Physical Chemistry A*, vol. 103, no. 49, pp. 10580-10587.

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*Journal Of Physical Chemistry B*, vol. 102, no. 41, pp. 8080-8090.

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*MOLECULAR ELECTRONICS: SCIENCE AND TECHNOLOGY*, vol. 852, pp. 1-21.

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*MOLECULAR ELECTRONICS: SCIENCE AND TECHNOLOGY*, vol. 852, pp. 38-53.

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*PHOTOSYNTHESIS RESEARCH*, vol. 55, no. 2-Mar, pp. 163-171.

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*COORDINATION CHEMISTRY REVIEWS*, vol. 177, pp. 37-60.

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*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*, vol. 215, pp. U189-U189.

*Advances in Chemistry Series*, vol. 254, pp. 263-277.

*Journal Of Chemical Physics*, vol. 106, no. 4, pp. 1518-1529.

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*Journal Of Chemical Education*, vol. 74, no. 12, pp. 1494-1502.

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*Journal Of Chemical Education*, vol. 74, no. 12, pp. 1503-1503.

*Journal Of Physical Chemistry*, vol. 100, no. 5, pp. 1498-1504.

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*Journal Of The American Chemical Society*, vol. 118, no. 8, pp. 2059-2068.

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*Journal Of Physical Chemistry*, vol. 100, no. 13, pp. 5604-5604.

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*Journal Of Physical Chemistry*, vol. 100, no. 22, pp. 9561-9567.

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*Chemical Physics Letters*, vol. 256, no. 4-May, pp. 353-359.

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*Chemical Physics*, vol. 208, no. 2, pp. 177-193.

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*Journal Of Physical Chemistry*, vol. 100, no. 50, pp. 19292-19294.

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*Nanotechnology*, vol. 7, no. 4, pp. 417-423.

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*Nanotechnology*, vol. 7, no. 4, pp. 424-429.

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*Journal of Physical Chemistry*, vol. 100, no. 13, p. 5604.

*Journal Of The American Chemical Society*, vol. 117, no. 4, pp. 1302-1308.

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*Journal Of The American Chemical Society*, vol. 117, no. 10, pp. 2855-2861.

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*Journal Of Physical Chemistry*, vol. 99, no. 26, pp. 10459-10470.

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*Chemical Physics*, vol. 197, no. 3, pp. 323-332.

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*Journal Of The American Chemical Society*, vol. 117, no. 33, pp. 8618-8626.

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*Journal Of Physical Chemistry*, vol. 99, no. 43, pp. 15798-15805.

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*Biosystems*, vol. 35, no. 2-Mar, pp. 107-111.

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*Bio Systems*, vol. 35, no. 2-3, pp. 107-111.

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*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*, vol. 209, pp. 446-INOR.

*Journal Of Photochemistry And Photobiology A-Chemistry*, vol. 82, no. 1-Mar, pp. 31-46.

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*Inorganica Chimica Acta*, vol. 226, no. 1-Feb, pp. 33-42.

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*Journal Of Physical Chemistry*, vol. 98, no. 46, pp. 11878-11884.

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*JOURNAL OF PHYSICAL CHEMISTRY*, vol. 98, no. 43, pp. 11075-11088.

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*Journal Of Physical Chemistry*, vol. 97, no. 11, pp. 2778-2787.

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*Chemical Physics Letters*, vol. 206, no. 1-Apr, pp. 318-322.

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*Chemical Physics Letters*, vol. 206, no. 1-Apr, pp. 323-328.

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*Journal Of Chemical Physics*, vol. 99, no. 3, pp. 1496-1507.

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*Journal Of Chemical Physics*, vol. 99, no. 3, pp. 1508-1521.

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*Chemical Physics*, vol. 176, no. 2-Mar, pp. 407-420.

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*Molecular Crystals And Liquid Crystals Science And Technology Section A-Molecular Crystals And Liquid Crystals*, vol. 234, pp. 51-57.

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*JOURNAL OF CHEMICAL PHYSICS*, vol. 99, no. 3, pp. 1482-1495.

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*Journal of Physical Chemistry*, vol. 97, no. 11, pp. 2778-2787.

*Chemical Physics*, vol. 167, no. 1-Feb, pp. 77-99.

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*Chemical Physics*, vol. 167, no. 1-Feb, pp. 101-109.

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*Journal Of Physical Chemistry*, vol. 95, no. 24, pp. 9773-9781.

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*Journal Of The American Chemical Society*, vol. 112, no. 11, pp. 4192-4197.

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*Chemical Physics Letters*, vol. 169, no. 6, pp. 622-626.

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*Chemical Physics*, vol. 146, no. 1-Feb, pp. 89-103.

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*Chemical Physics*, vol. 146, no. 1-Feb, pp. 105-114.

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*Inorganic Chemistry*, vol. 29, no. 19, pp. 3686-3697.

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*Inorganic Chemistry*, vol. 29, no. 22, pp. 4510-4513.

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*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*, vol. 200, pp. 49-INOR.

*ADVANCES IN CHEMISTRY SERIES*, no. 226, pp. 27-63.

*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*, vol. 200, pp. 87-PHYS.

*Chemical Physics*, vol. 134, no. 2-Mar, pp. 323-354.

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*Journal Of Physical Chemistry*, vol. 92, no. 11, pp. 3225-3235.

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*Physical Review A*, vol. 36, no. 6, pp. 2613-2627.

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*Chemical Physics Letters*, vol. 123, no. 5, pp. 394-398.

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*Molecular Physics*, vol. 57, no. 4, pp. 777-791.

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*Journal Of Physics A-Mathematical And General*, vol. 19, no. 13, pp. 2559-2571.

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*Journal Of Chemical Physics*, vol. 85, no. 10, pp. 5625-5643.

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*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*, vol. 191, pp. 204-PHYS.

*Journal Of Chemical Physics*, vol. 82, no. 11, pp. 5064-5077.

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*Journal Of Chemical Physics*, vol. 83, no. 2, pp. 511-515.

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*Journal Of Chemical Physics*, vol. 83, no. 2, pp. 516-520.

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*ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY*, vol. 190, no. SEP, pp. 118-PHS.

*Chemical Physics*, vol. 85, no. 1, pp. 83-112.

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*Chemical Physics*, vol. 91, no. 2, pp. 201-223.

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*Molecular Physics*, vol. 52, no. 2, pp. 357-381.

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*Chemical Physics*, vol. 85, no. 1, pp. 83-112.

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*Chemical Physics Letters*, vol. 94, no. 2, pp. 222-226.

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*Journal Of Chemical Physics*, vol. 79, no. 10, pp. 4749-4757.

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*Australian Journal Of Physics*, vol. 35, no. 5, pp. 623-638.

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*Chemical Physics*, vol. 64, no. 1, pp. 95-114.

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*Chemical Physics*, vol. 62, no. 1-Feb, pp. 187-193.

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*Journal Of Molecular Spectroscopy*, vol. 87, no. 2, pp. 316-330.

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