المؤلفون: Shao, Yihan, Gan, Zhengting, Epifanovsky, Evgeny, Gilbert, Andrew, Wormit, Michael, Kussmann, Joerg, Lange, Adrian, Behn, Andrew, Deng, Jia, Feng, Xintian, Ghosh, Debashree, Goldey, Matthew, Horn, Paul, Jacobson, Leif, Kaliman, Ilya, Khaliullin, Rustam, Kuś, Tomasz, Landau, Arie, Liu, Jie, Proynov, Emil, Rhee, Young, Richard, Ryan, Rohrdanz, Mary, Steele, Ryan, Sundstrom, Eric, Woodcock, H. Lee, Zimmerman, Paul, Zuev, Dmitry, Albrecht, Ben, Alguire, Ethan, Austin, Brian, Beran, Gregory, Bernard, Yves, Berquist, Eric, Brandhorst, Kai, Bravaya, Ksenia, Brown, Shawn, Casanova, David, Chang, Chun-Min, Chen, Yunqing, Chien, Siu, Closser, Kristina, Crittenden, Deborah, Diedenhofen, Michael, DiStasio, Robert, Do, Hainam, Dutoi, Anthony, Edgar, Richard, Fatehi, Shervin, Fusti-Molnar, Laszlo, Ghysels, An, Golubeva-Zadorozhnaya, Anna, Gomes, Joseph, Hanson-Heine, Magnus, Harbach, Philipp, Hauser, Andreas, Hohenstein, Edward, Holden, Zachary, Jagau, Thomas-C., Ji, Hyunjun, Kaduk, Benjamin, Khistyaev, Kirill, Kim, Jaehoon, Kim, Jihan, King, Rollin, Klunzinger, Phil, Kosenkov, Dmytro, Kowalczyk, Tim, Krauter, Caroline, Lao, Ka, Laurent, Adèle, Lawler, Keith, Levchenko, Sergey, Lin, Ching, Liu, Fenglai, Livshits, Ester, Lochan, Rohini, Luenser, Arne, Manohar, Prashant, Manzer, Samuel, Mao, Shan-Ping, Mardirossian, Narbe, Marenich, Aleksandr, Maurer, Simon, Mayhall, Nicholas, Neuscamman, Eric, Oana, C. Melania, Olivares-Amaya, Roberto, O'Neill, Darragh, Parkhill, John, Perrine, Trilisa, Peverati, Roberto, Prociuk, Alexander, Rehn, Dirk, Rosta, Edina, Russ, Nicholas, Sharada, Shaama, Sharma, Sandeep, Small, David, Sodt, Alexander, Stein, Tamar, Stück, David, Su, Yu-Chuan, Thom, Alex, Tsuchimochi, Takashi, Vanovschi, Vitalii, Vogt, Leslie, Vydrov, Oleg, Wang, Tao, Watson, Mark, Wenzel, Jan, White, Alec, Williams, Christopher, Yang, Jun, Yeganeh, Sina, Yost, Shane, You, Zhi-Qiang, Zhang, Igor, Zhang, Xing, Zhao, Yan, Brooks, Bernard, Chan, Garnet, Chipman, Daniel, Cramer, Christopher, Goddard, William, Gordon, Mark, Hehre, Warren, Klamt, Andreas, Schaefer, Henry, Schmidt, Michael, Sherill, C. David, Truhlar, Donald, Warshel, Arieh, Xu, Xin, Aspuru-Guzik, Alán, Baer, Roi, Bell, Alexis, Besley, Nicholas, Chai, Jeng-Da, Dreuw, Andreas, Dunietz, Barry, Furlani, Thomas, Gwaltney, Steven, Hsu, Chao-Ping, Jung, Yousung, Kong, Jing, Lambrecht, Daniel, Liang, WanZhen, Ochsenfeld, Christian, Rassolov, Vitaly, Slipchenko, Lyudmila, Subotnik, Joseph, Van Voorhis, Troy, Herbert, John, Krylov, Anna, Gill, Peter, Head-Gordon, Martin

المساهمون: Chemistry

المصدر: archive/lib.dr.iastate.edu/chem_pubs/640/2015_Gordon_AdvancesMolecular.pdf|||Sat Jan 15 01:22:21 UTC 2022 ; 10.1080/00268976.2014.952696

مصطلحات موضوعية: Chemistry, quantum chemistry, software, electronic structure theory, density functional theory, electron correlation, computational modelling, Q-Chem

وصف الملف: application/pdf

Relation: archive/lib.dr.iastate.edu/chem_pubs/640/; 1642; 7951649; chem_pubs/640; https://dr.lib.iastate.edu/handle/20.500.12876/15118

الاتاحة: https://dr.lib.iastate.edu/handle/20.500.12876/15118
https://hdl.handle.net/20.500.12876/15118

المؤلفون: Liu, Fenglai, Livshits, Ester, Lochan, Rohini C., Luenser, Arne, Manohar, Prashant, Manzer, Samuel F., Mao, Shan-Ping, Mardirossian, Narbe, Marenich, Aleksandr V., Maurer, Simon A., Mayhall, Nicholas J., Neuscamman, Eric, Oana, C. Melania, Olivares-Amaya, Roberto, O'Neill, Darragh P., Parkhill, John A., Perrine, Trilisa M., Peverati, Roberto, Prociuk, Alexander, Rehn, Dirk R., Rosta, Edina, Russ, Nicholas J., Sharada, Shaama M., Sharma, Sandeep, Small, David W., Sodt, Alexander, Stein, Tamar, Stueck, David, Su, Yu-Chuan, Thom, Alex J. W., Tsuchimochi, Takashi, Vanovschi, Vitalii, Vogt, Leslie, Vydrov, Oleg, Wang, Tao, Watson, Mark A., Wenzel, Jan, White, Alec, Williams, Christopher F., Yang, Jun, Yeganeh, Sina, Yost, Shane R., You, Zhi-Qiang, Zhang, Igor Ying, Zhang, Xing, Zhao, Yan, Brooks, Bernard R., Chan, Garnet K. L., Chipman, Daniel M., Cramer, Christopher J., Goddard, William A., Gordon, Mark S., Hehre, Warren J., Klamt, Andreas, Schaefer, Henry F., Schmidt, Michael W., Sherrill, C. David, Truhlar, Donald G., Warshel, Arieh, Xu, Xin, Aspuru-Guzik, Alan, Baer, Roi, Bell, Alexis T., Besley, Nicholas A., Chai, Jeng-Da, Dreuw, Andreas, Dunietz, Barry D., Furlani, Thomas R., Gwaltney, Steven R., Hsu, Chao-Ping, Jung, Yousung, Kong, Jing, Lambrecht, Daniel S., Liang, Wanzhen, Ochsenfeld, Christian, Rassolov, Vitaly A., Slipchenko, Lyudmila V., Subotnik, Joseph E., van Voorhis, Troy, Herbert, John M., Krylov, Anna I., Gill, Peter M. W., Head-Gordon, Martin, Shao, Yihan, Gan, Zhengting, Epifanovsky, Evgeny, Gilbert, Andrew T. B., Wormit, Michael, Kussmann, Joerg, Lange, Adrian W., Behn, Andrew, Deng, Jia, Feng, Xintian, Ghosh, Debashree, Goldey, Matthew, Horn, Paul R., Jacobson, Leif D., Kaliman, Ilya, Khaliullin, Rustam Z., Kus, Tomasz, Landau, Arie, Liu, Jie, Proynov, Emil I., Rhee, Young Min, Richard, Ryan M., Rohrdanz, Mary A., Steele, Ryan P., Sundstrom, Eric J., Woodcock, H. Lee, Zimmerman, Paul M., Zuev, Dmitry, Albrecht, Ben, Alguire, Ethan, Austin, Brian, Beran, Gregory J. O., Bernard, Yves A., Berquist, Eric, Brandhorst, Kai, Bravaya, Ksenia B., Brown, Shawn T., Casanova, David, Chang, Chun-Min, Chen, Yunqing, Chien, Siu Hung, Closser, Kristina D., Crittenden, Deborah L., Diedenhofen, Michael, Distasio, Robert A., Do, Hainam, Dutoi, Anthony D., Edgar, Richard G., Fatehi, Shervin, Fusti-Molnar, Laszlo, Ghysels, An, Golubeva-Zadorozhnaya, Anna, Gomes, Joseph, Hanson-Heine, Magnus W. D., Harbach, Philipp H. P., Hauser, Andreas W., Hohenstein, Edward G., Holden, Zachary C., Jagau, Thomas-C., Ji, Hyunjun, Kaduk, Benjamin, Khistyaev, Kirill, Kim, Jaehoon, Kim, Jihan, King, Rollin A., Klunzinger, Phil, Kosenkov, Dmytro, Kowalczyk, Tim, Krauter, Caroline M., Lao, Ka Un, Laurent, Adele D., Lawler, Keith V., Levchenko, Sergey V., Lin, Ching Yeh

المساهمون: Institut für Physikalische Chemie, Universität Mainz, Department of Chemistry Berkeley, University of California Berkeley (UC Berkeley), University of California (UC)-University of California (UC), China Earthquake Networks Center, China Earthquake Administration (CEA), University of Minnesota System (UMN), Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota Twin Cities (UMN), University of Minnesota System (UMN)-University of Minnesota System (UMN), COSMOlogic GmbH & Co KG, Institute of Physical and Theoretical Chemistry, Universität Regensburg (UR), Department of Chemistry, Minnesota Supercomputing Institute, and Chemical Theory Center, Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC), University of Frankfurt, Department of Mathematics Shanghai, Shanghai Jiao Tong University Shanghai, Chemistry, Ludwig Maximilian University Munich = Ludwig Maximilians Universität München (LMU), Eberhard Karls Universität Tübingen = University of Tübingen, Chaire Sciences des Systèmes et Défis Energétiques EDF/ECP/Supélec (SSEC), Ecole Centrale Paris-Ecole Supérieure d'Electricité - SUPELEC (FRANCE)-CentraleSupélec-EDF R&D (EDF R&D), EDF (EDF)-EDF (EDF), Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation (CEISAM), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0026-8976.

مصطلحات موضوعية: quantum chemistry, electron correlation, electronic structure theory, Q-Chem, computational modelling, software, density functional theory, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

الاتاحة: https://hal.science/hal-01389004
https://doi.org/10.1080/00268976.2014.952696

المؤلفون: Ghosh, Debashree, Kosenkov, Dmytro, Vanovschi, Vitalii, Flick, Joanna, Kaliman, Ilya, Shao, Yihan, Gilbert, Andrew T.B., Krylov, Anna I., Slipchenko, Lyudmila V.

المصدر: Journal of Computational Chemistry ; volume 34, issue 12, page 1060-1070 ; ISSN 0192-8651 1096-987X

الاتاحة: http://dx.doi.org/10.1002/jcc.23223
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fjcc.23223
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.23223

المؤلفون: Ghosh, Debashree, Kosenkov, Dmytro, Vanovschi, Vitalii, Williams, Christopher, Herbert, John, Gordon, Mark, Schmidt, Michael, Slipchenko, Lyudmila, Krylov, Anna

المساهمون: Ames National Laboratory, Ames Laboratory, Chemistry

المصدر: archive/lib.dr.iastate.edu/chem_pubs/530/0-L_2010_Gordon_NoncovalentInteractions.pdf|||Sat Jan 15 00:50:51 UTC 2022 ; archive/lib.dr.iastate.edu/chem_pubs/530/2010_Gordon_NoncovalentInteractions.pdf|||Sat Jan 15 00:50:53 UTC 2022 ; 10.1021/jp107557p

مصطلحات موضوعية: Chemistry

وصف الملف: application/pdf

Relation: archive/lib.dr.iastate.edu/chem_pubs/530/; 1547; 7944342; chem_pubs/530; https://dr.lib.iastate.edu/handle/20.500.12876/14998

الاتاحة: https://dr.lib.iastate.edu/handle/20.500.12876/14998
https://hdl.handle.net/20.500.12876/14998

المؤلفون: Ghosh, Debashree, Kosenkov, Dmytro, Vanovschi, Vitalii, Williams, Christopher F., Herbert, John M., Gordon, Mark S., Schmidt, Michael W., Slipchenko, Lyudmila V., Krylov, Anna I.

المصدر: The Journal of Physical Chemistry - Part A; 20240101, Issue: Preprints

المؤلفون: Vanovschi, Vitalii, Krylov, Anna I., Wenthold, Paul G.

المصدر: Theoretical Chemistry Accounts ; volume 120, issue 1-3, page 45-58 ; ISSN 1432-881X 1432-2234

الاتاحة: http://dx.doi.org/10.1007/s00214-007-0305-7
http://link.springer.com/content/pdf/10.1007/s00214-007-0305-7.pdf
http://link.springer.com/article/10.1007/s00214-007-0305-7/fulltext.html
http://link.springer.com/content/pdf/10.1007/s00214-007-0305-7

المؤلفون: Vanovschi, Vitalii, Krylov, Anna, Wenthold, Paul

المصدر: Theoretical Chemistry Accounts: Theory, Computation, & Modeling; Jun2008, Vol. 120 Issue 1-3, p45-58, 14p, 3 Diagrams, 4 Charts, 10 Graphs

مصطلحات موضوعية: PHYSICAL & theoretical chemistry, POTENTIAL energy surfaces, FUNCTIONAL analysis, QUANTUM chemistry, IONIZATION (Atomic physics)

المؤلفون: Vanovschi,Vitalii

المصدر: http://chemicalforum.webqc.org/.

مصطلحات موضوعية: chemia, fora, dyskusje

وصف الملف: text/html

Relation: oai:jbc.bj.uj.edu.pl:publication:214182; https://jbc.bj.uj.edu.pl/dlibra/publication/edition/202825/content; oai:jbc.bj.uj.edu.pl:202825

الاتاحة: https://jbc.bj.uj.edu.pl/dlibra/publication/edition/202825/content