Modeling The Hydrogen Bond

By Douglas A. Smith, Raymond A. Dwek, Michael C. Zerner, American Chemical Society, Mark S. Gordon, L.G. Pedersen, Andrew J. Holder, Nigel G. J. Richards, Harold Basch, Robert J. Woods, P. Singh, Bert Fraser-Reid, American Chemical Society. Meeting, Jan H. Jensen, Jiali Gao, A. D. French, D. P. Miller, Xiaofeng Duan, Steve Scheiner, Curt M. Breneman, Ill.) American Chemical Society Meeting (206th : 1993 : Chicago, T. A. Keith, M. J. Frisch, M. Dominic Ryan, Peter I. Nagy, Graham J. Durant, Nohad Gresh, Martin Leboeuf, Dennis Salahub, Earl M. Evleth, Paul N. Day, Drora Cohen, David R. Garmer, Morris Kraus, Walter J. Stevens, Marlon Rhem, Tracy R. Thompson, Mei Hsu Dung, S. Vijayakumar, S. Vishveshwara, G. Ravishanker, D. L. Beveridge, Masayuki Shibata, Theresa Julia Zielinski, Marshall G. Cory, Christopher J. Edge, S. Trohalaki, A. T. Yeates, D. S. Dudis, M. A. Zottola, B. Ramsay-Shaw

A Brief History Of The Hydrogen Bond / Douglas A. Smith -- Computation Of Intermolecular Interactions With A Combined Quantum Mechanical And Classical Approach / Jiali Gao -- Inclusion Of Explicit...

Parallel Computing In Computational Chemistry

By Michael W. Schmidt, Robert J. Harrison, Thomas R. Cundari, Ron Shepard, Mark S. Gordon, J. Andrew McCammon, William A. Goddard, Zhiming Li, Jan H. Jensen, Michael J. Frisch, Ruth Pachter, Babak Bagheri, Gary W. Trucks, W. Wade Adams, L. Ridgway Scott, Timothy G. Mattson, Theresa L. Windus, Kim K. Baldridge, Nikita Matsunaga, Jerry A. Boatz, C. L. Janssen, E. T. Seidl, M. E. Colvin, David P. Turner, Hans Lischka, Holger Dachsel, Erik P. Bierwagen, Terry R. Coley, Steve Plimpton, Bruce Hendrickson, Ganesan Ravishanker, Andreas Windemuth, Andrew Ilin, James M. Briggs, R. Benny Gerber, Craig C. Martens, James A. Lupo, Steven B. Fairchild

Content: Parallel computing / Timothy G. Mattson -- Parallel implementation of the electronic structure code GAMESS / Theresa L. Windus, Michael W. Schmidt, and Mark S. Gordon -- Applications of pa...

Essays In Physical Chemistry: A Sourcebook For Physical Chemistry Teachers

By Douglas A. Smith, Raymond A. Dwek, Michael C. Zerner, Mark S. Gordon, L.G. Pedersen, Andrew J. Holder, Nigel G. J. Richards, Harold Basch, Robert J. Woods, P. Singh, Bert Fraser-Reid, W. T. Lippincott, Jan H. Jensen, Jiali Gao, A. D. French, D. P. Miller, Xiaofeng Duan, Steve Scheiner, Curt M. Breneman, T. A. Keith, M. J. Frisch, M. Dominic Ryan, Peter I. Nagy, Graham J. Durant, Nohad Gresh, Martin Leboeuf, Dennis Salahub, Earl M. Evleth, Paul N. Day, Drora Cohen, David R. Garmer, Morris Kraus, Walter J. Stevens, Marlon Rhem, Tracy R. Thompson, Mei Hsu Dung, S. Vijayakumar, S. Vishveshwara, G. Ravishanker, D. L. Beveridge, Masayuki Shibata, Theresa Julia Zielinski, Marshall G. Cory, Christopher J. Edge, S. Trohalaki, A. T. Yeates, D. S. Dudis, M. A. Zottola, B. Ramsay-Shaw

Discusses theoretical methods, molecular modeling, and graphical analyses as applied to the study of hydrogen bonding in small organic molecules, bioorganic molecules including sugars in solution a...

Fragmentation: Toward Accurate Calculations On Complex Molecular Systems

By Mark S. Gordon, M. S. Gordon

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...

Fragmentation: Toward Accurate Calculations On Complex Molecular Systems

By Mark S. Gordon, M.S. Gordon

Fragmentation: Toward Accurate Calculations On Complex Molecular Systems Introduces The Reader To The Broad Array Of Fragmentation And Embedding Methods That Are Currently Available Or Under Develo...

Fragmentation: Toward Accurate Calculations On Complex Molecular Systems

By Mark S. Gordon, Gordon, Mark S.

Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under develo...

Fragmentation

By Mark S. Gordon, M.S. Gordon

Forty Days, Forty Graces: Essays By A Grateful Pilgrim

By Mark S. Gordon, Mark Gordon

Solvation Methods - Theoretical Perspectives: Development Of Solvation Methods And Their Implementation In Chemical Reactions

By Mark S. Gordon, Ivana Adamovic