Crystal cookery - using high-throughput technologies and the grocery store as a teaching tool by Luft, Joseph R., Furlani, Nicholas M., NeMoyer, Rachel E., Penna, Elliott J., Wolfley, Jennifer R., Snell, M. Elizabeth, Potter, Stephen A., Snell, Edward H.

Get full text

Advances in methods and algorithms in a modern quantum chemistry program package by Shao, Yihan, Molnar, Laszlo Fusti, Jung, Yousung, Kussmann, Jörg, Ochsenfeld, Christian, Brown, Shawn T, Gilbert, Andrew T B, Slipchenko, Lyudmila V, Levchenko, Sergey V, O'Neill, Darragh P, DiStasio, Jr, Robert A, Lochan, Rohini C, Wang, Tao, Beran, Gregory J O, Besley, Nicholas A, Herbert, John M, Lin, Ching Yeh, Van Voorhis, Troy, Chien, Siu Hung, Sodt, Alex, Steele, Ryan P, Rassolov, Vitaly A, Maslen, Paul E, Korambath, Prakashan P, Adamson, Ross D, Austin, Brian, Baker, Jon, Byrd, Edward F C, Dachsel, Holger, Doerksen, Robert J, Dreuw, Andreas, Dunietz, Barry D, Dutoi, Anthony D, Furlani, Thomas R, Gwaltney, Steven R, Heyden, Andreas, Hirata, So, Hsu, Chao-Ping, Kedziora, Gary, Khalliulin, Rustam Z, Klunzinger, Phil, Lee, Aaron M, Lee, Michael S, Liang, Wanzhen, Lotan, Itay, Nair, Nikhil, Peters, Baron, Proynov, Emil I, Pieniazek, Piotr A, Rhee, Young Min, Ritchie, Jim, Rosta, Edina, Sherrill, C David, Simmonett, Andrew C, Subotnik, Joseph E, Woodcock, 3rd, H Lee, Zhang, Weimin, Bell, Alexis T, Chakraborty, Arup K, Chipman, Daniel M, Keil, Frerich J, Warshel, Arieh, Hehre, Warren J, Schaefer, 3rd, Henry F, Kong, Jing, Krylov, Anna I, Gill, Peter M W, Head-Gordon, Martin

Get full text

Q-Chem 2.0: a high-performance ab initio electronic structure program package by Kong, Jing, White, Christopher A., Krylov, Anna I., Sherrill, David, Adamson, Ross D., Furlani, Thomas R., Lee, Michael S., Lee, Aaron M., Gwaltney, Steven R., Adams, Terry R., Ochsenfeld, Christian, Gilbert, Andrew T. B., Kedziora, Gary S., Rassolov, Vitaly A., Maurice, David R., Nair, Nikhil, Shao, Yihan, Besley, Nicholas A., Maslen, Paul E., Dombroski, Jeremy P., Daschel, Holger, Zhang, Weimin, Korambath, Prakashan P., Baker, Jon, Byrd, Edward F. C., Van Voorhis, Troy, Oumi, Manabu, Hirata, So, Hsu, Chao-Ping, Ishikawa, Naoto, Florian, Jan, Warshel, Arieh, Johnson, Benny G., Gill, Peter M. W., Head-Gordon, Martin, Pople, John A.

Get full text

Q-Chem 2.0: a high-performanceab initio electronic structure program package by Kong, Jing, White, Christopher A., Krylov, Anna I., Sherrill, David, Adamson, Ross D., Furlani, Thomas R., Lee, Michael S., Lee, Aaron M., Gwaltney, Steven R., Adams, Terry R., Ochsenfeld, Christian, Gilbert, Andrew T. B., Kedziora, Gary S., Rassolov, Vitaly A., Maurice, David R., Nair, Nikhil, Shao, Yihan, Besley, Nicholas A., Maslen, Paul E., Dombroski, Jeremy P., Daschel, Holger, Zhang, Weimin, Korambath, Prakashan P., Baker, Jon, Byrd, Edward F. C., Van Voorhis, Troy, Oumi, Manabu, Hirata, So, Hsu, Chao-Ping, Ishikawa, Naoto, Florian, Jan, Warshel, Arieh, Johnson, Benny G., Gill, Peter M. W., Head-Gordon, Martin, Pople, John A.

Get full text