Structures And Conformations Of Non-Rigid Molecules

By Jaan Laane, J. Laane

From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to c...

Low-Lying Potential Energy Surfaces

By Rajat K. Chaudhuri, Josef Paldus, Jefferson W. Tester, George C. Schatz, Xiangzhu Li, Bernhardt L. Trout, Troy Van Voorhis, K. Morris, Karol Kowalski, Mark S. Gordon, J. F. Harrison, R. W. Field, Charles E Miller, Kirk Peterson, Debashis Mukherjee, Kenneth G. Dyall, S. Sakurai, Brian J. Anderson, Karl F. Freed, J. Laane, P. W. Langhoff, Piotr Piecuch, K. Haller, Shinkoh Nanbu, Michael Baer, Joel M. Bowman, Mark E. Casida, Toshinori Suzuki, Ian S. O. Pimienta, Ramón. Hernández-Lamoneda, Mark R. Hoffmann, Stanislaw A. Kucharski, Mark Wladyslawski, Marcel Nooijen, Martin Head-Gordon, Steven R. Gwaltney, Edward F. C. Byrd, Sudip Chattopadhyay, Uttam Sinha Mahapatra, Pradipta Ghosh, Davin M. Potts, Yuriy G. Khait, J. A. Boatz, R. J. Hinde, J. A. Sheehy, C. C. Jarrold, Dmitri G. Fedorov, Sergei Skokov, Shengli Zou, Z. Arp, N. Meinander, T. Klots, E. Bondoc, J. Choo, Nancy Makri, Jiushu Shao, Zhitao Cao

This paper provides an overview of recent trends in the development of electronic structure theory for the accurate characterization of all, or large regions, of ground and excited potential energy...

Structures And Conformations Of Non-Rigid Molecules

By Jaan Laane, Heinz Oberhammer, J. Laane, Ben Van Der Veken, Marwan Dakkouri

Raman Spectra Of Cl<Span><Img Alt="Math Image" Src="Http://Onlinelibrary.Wiley.Com/Store/10.1002/Jrs.1250140404/Asset/Equation/Tex2gif-Stack-1.Gif?V=1&T=H5kaihky&S=17f0f5ec7c6dcc4a00dd710d70fd1e304f5282eb" Class="InlineGraphic"></Span> And Br<Span><Img Alt="Math Image" Src="Http://Onlinelibrary.Wiley.Com/Store/10.1002/Jrs.1250140404/Asset/Equation/Tex2gif-Stack-2.Gif?V=1&T=H5kaihky&S=5b10f2bb134963fba34ac25baf3f2f631d04e6fc" Class="InlineGraphic"></Span> At 12 K Produced From The Reaction Of HCl Or HBr With

By J. Laane, L.-H. Chen, E. M. Nour

Low-Lying Potential Energy Surfaces (ACS Symposium Series, No. 828)

By Rajat K. Chaudhuri, Josef Paldus, Jefferson W. Tester, George C. Schatz, Xiangzhu Li, Bernhardt L. Trout, Troy Van Voorhis, K. Morris, Karol Kowalski, Mark S. Gordon, J. F. Harrison, R. W. Field, Charles E Miller, Kirk Peterson, Debashis Mukherjee, Kenneth G. Dyall, S. Sakurai, Brian J. Anderson, Karl F. Freed, J. Laane, P. W. Langhoff, Piotr Piecuch, K. Haller, Shinkoh Nanbu, Michael Baer, Joel M. Bowman, Mark E. Casida, Toshinori Suzuki, Ian S. O. Pimienta, Ramón. Hernández-Lamoneda, Mark R. Hoffmann, Stanislaw A. Kucharski, Mark Wladyslawski, Marcel Nooijen, Martin Head-Gordon, Steven R. Gwaltney, Edward F. C. Byrd, Sudip Chattopadhyay, Uttam Sinha Mahapatra, Pradipta Ghosh, Davin M. Potts, Yuriy G. Khait, J. A. Boatz, R. J. Hinde, J. A. Sheehy, C. C. Jarrold, Dmitri G. Fedorov, Sergei Skokov, Shengli Zou, Z. Arp, N. Meinander, T. Klots, E. Bondoc, J. Choo, Nancy Makri, Jiushu Shao, Zhitao Cao

This paper provides an overview of recent trends in the development of electronic structure theory for the accurate characterization of all, or large regions, of ground and excited potential energy...