-
1Academic Journal
المؤلفون: Alexander Blech, Yuval Shagam, Nicolas Hölsch, Prerna Paliwal, Wojciech Skomorowski, John W. Rosenberg, Natan Bibelnik, Oded Heber, Daniel M. Reich, Edvardas Narevicius, Christiane P. Koch
المصدر: Nature Communications, Vol 11, Iss 1, Pp 1-7 (2020)
مصطلحات موضوعية: Science
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2041-1723
-
2Academic Journal
المؤلفون: Baruch Margulis, Prerna Paliwal, Wojciech Skomorowski, Mariusz Pawlak, Piotr S. Żuchowski, Edvardas Narevicius
المصدر: Physical Review Research, Vol 4, Iss 4, p 043042 (2022)
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2643-1564
-
3Academic Journal
المؤلفون: Joel Creutzberg, Wojciech Skomorowski, Thomas-C. Jagau
مصطلحات موضوعية: Biophysics, Medicine, Neuroscience, Biotechnology, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, kaufmann basis functions, increasing angular momentum, gaussian basis sets, various rydberg states, rydberg states represented, molecular rydberg states, autoionizing rydberg states, 3d rydberg states, complex basis functions, cluster theory combined, computing decay widths, >, 2 , compute autoionization widths, rydberg states, cluster theory, rydberg series, >, g <, decay width
-
4Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
المؤلفون: Dimitri Kosenkov, K. Birgitta Whaley, Dennis Barton, Abdulrahman Aldossary, Sam F. Manzer, Wojciech Skomorowski, Matthew Goldey, Ksenia B. Bravaya, Leif D. Jacobson, Gergely Kis, Anna I. Krylov, Aaditya Manjanath, Norm M. Tubman, Bang C. Huynh, Shane R. Yost, Barry D. Dunietz, Hainam Do, Sina Yeganeh, Shervin Fatehi, Stephen E. Mason, Warren J. Hehre, Sahil Gulania, Martin Head-Gordon, Alexander C. Paul, Jeffrey B. Neaton, István Ladjánszki, Matthias Schneider, Prashant Uday Manohar, Maximilian Scheurer, Simon A. Maurer, Adrian L. Dempwolff, Dmitry Zuev, Zachary C. Holden, Jan Wenzel, Eric J. Sundstrom, Phil Klunzinger, Jia Deng, Daniel S. Levine, Kristina D. Closser, David W. Small, Hanjie Jiang, Bernard R. Brooks, Alexandre Tkatchenko, Vale Cofer-Shabica, Xing Zhang, Nickolai Sergueev, Jonathan Thirman, Ádám Jász, Ethan Alguire, Keith V. Lawler, Chao-Ping Hsu, Saswata Dasgupta, Narbe Mardirossian, David Casanova, Pierpaolo Morgante, Andrew Behn, Vishikh Athavale, WanZhen Liang, Matthias Loipersberger, Arie Landau, Andreas Dreuw, Qingguo Feng, James R. Gayvert, Tomasz Adam Wesolowski, Thomas Kus, Alexander Zech, Daniel Lefrancois, Kirill Khistyaev, Oleg A. Vydrov, Marc P. Coons, Bushra Alam, Fenglai Liu, Alan D. Chien, Yu Zhang, Andreas W. Hauser, Stefanie A. Mewes, You Sheng Lin, Zheng Pei, Evgeny Epifanovsky, Run R. Li, Michael F. Herbst, Joseph Gomes, Thomas R. Furlani, Tim Stauch, Abel Carreras, Joonho Lee, Erum Mansoor, John M. Herbert, Yu-Chuan Su, Maxim V. Ivanov, Maximilian F. S. J. Menger, György Cserey, Ryan P. Steele, Yousung Jung, Anastasia O. Gunina, Vitaly A. Rassolov, Daniel S. Lambrecht, Zhen Tao, Fabijan Pavošević, Yves A. Bernard, Michael Diedenhofen, Igor Ying Zhang, Paul R. Horn, Hung Hsuan Lin, Roberto Peverati, William A. Goddard, Yihan Shao, Shirin Faraji, Pavel Pokhilko, Tarek Scheele, Andrew T.B. Gilbert, Triet Friedhoff, Dirk R. Rehn, Kaushik D. Nanda, Susi Lehtola, Jeng-Da Chai, Hugh G. A. Burton, Alexander A. Kunitsa, Qinghui Ge, Ádám Rák, Elliot Rossomme, Hyunjun Ji, Jing Kong, Kuan-Yu Liu, Adrian F. Morrison, Yi-Pei Li, Troy Van Voorhis, Nicholas J. Mayhall, Simon C. McKenzie, Sven Kähler, H. Lee Woodcock, Stefan Prager, Xintian Feng, Manuel Hodecker, Thomas-C. Jagau, Takashi Tsuchimochi, Peter Gill, Adrian W. Lange, Ryan M. Richard, Robert A. DiStasio, Kevin Carter-Fenk, Ying Zhu, Tim Kowalczyk, Joong Hoon Koh, Ilya Kaliman, Peter F. McLaughlin, John Parkhill, Gábor János Tornai, Caroline M. Krauter, Zhengting Gan, Eloy Ramos-Cordoba, Marcus Liebenthal, Donald G. Truhlar, Jiashu Liang, Joseph E. Subotnik, Arne Luenser, Nicole Bellonzi, Sonia Coriani, Andreas Klamt, Aleksandr V. Marenich, Shaama Mallikarjun Sharada, Zsuzsanna Koczor-Benda, Yuezhi Mao, Shannon E. Houck, Marta L. Vidal, Emil Proynov, C. William McCurdy, J. Wayne Mullinax, Mario Hernández Vera, Khadiza Begam, Alán Aspuru-Guzik, Jon Witte, Laura Koulias, Felix Plasser, Christopher J. Stein, Alec F. White, Jan-Michael Mewes, Romit Chakraborty, Ka Un Lao, Suranjan K. Paul, Teresa Head-Gordon, Karl Y Kue, Po Tung Fang, Zhi-Qiang You, Cristina E. González-Espinoza, Jie Liu, Diptarka Hait, Alan E. Rask, Phillip H.P. Harbach, Nicholas A. Besley, Kun Yao, Benjamin J. Albrecht, Benjamin Kaduk, Jae-Hoon Kim, Gergely Gidofalvi, A. Eugene DePrince, Thomas Markovich, Eric J. Berquist, Marc de Wergifosse, Alexis T. Bell, Christopher J. Cramer, Adam Rettig, Garrette Paran, Shan Ping Mao, Katherine J. Oosterbaan, Paul M. Zimmerman, Christian Ochsenfeld, J. Andersen, Magnus W. D. Hanson-Heine, Jörg Kussmann, Lyudmila V. Slipchenko, Alex J. W. Thom, Sebastian Ehlert, Atsushi Yamada, Srimukh Prasad Veccham, Kerwin Hui, Fazle Rob, Xunkun Huang, Bhaskar Rana, Sharon Hammes-Schiffer
المساهمون: Department of Chemistry, Theoretical Chemistry
المصدر: The journal of chemical physics 155(8), 084801 (2021). doi:10.1063/5.0055522
Epifanovsky, E, Gilbert, A T B, Feng, X, Lee, J, Mao, Y, Mardirossian, N, Pokhilko, P, White, A F, Coons, M P, Dempwolff, A L, Gan, Z, Hait, D, Horn, P R, Jacobson, L D, Kaliman, I, Kussmann, J, Lange, A W, Lao, K U, Levine, D S, Liu, J, McKenzie, S C, Morrison, A F, Nanda, K D, Plasser, F, Rehn, D R, Vidal, M L, You, Z-Q, Zhu, Y, Alam, B, Albrecht, B J, Aldossary, A, Alguire, E, Andersen, J H, Athavale, V, Barton, D, Begam, K, Behn, A, Bellonzi, N, Bernard, Y A, Berquist, E J, Burton, H G A, Carreras, A, Carter-Fenk, K, Chakraborty, R, Chien, A D, Closser, K D, Cofer-Shabica, V, Dasgupta, S, de Wergifosse, M, Deng, J, Diedenhofen, M, Do, H, Ehlert, S, Fang, P-T, Fatehi, S, Feng, Q, Friedhoff, T, Gayvert, J, Ge, Q, Gidofalvi, G, Goldey, M, Gomes, J, González-Espinoza, C E, Gulania, S, Gunina, A O, Hanson-Heine, M W D, Harbach, P H P, Hauser, A, Herbst, M F, Hernández Vera, M, Hodecker, M, Holden, Z C, Houck, S, Huang, X, Hui, K, Huynh, B C, Ivanov, M, Jász, Á, Ji, H, Jiang, H, Kaduk, B, Kähler, S, Khistyaev, K, Kim, J, Kis, G, Klunzinger, P, Koczor-Benda, Z, Koh, J H, Kosenkov, D, Koulias, L, Kowalczyk, T, Krauter, C M, Kue, K, Kunitsa, A, Kus, T, Ladjánszki, I, Landau, A, Lawler, K V, Lefrancois, D, Lehtola, S, Li, R R, Li, Y-P, Liang, J, Liebenthal, M, Lin, H-H, Lin, Y-S, Liu, F, Liu, K-Y, Loipersberger, M, Luenser, A, Manjanath, A, Manohar, P, Mansoor, E, Manzer, S F, Mao, S-P, Marenich, A V, Markovich, T, Mason, S, Maurer, S A, McLaughlin, P F, Menger, M F S J, Mewes, J-M, Mewes, S A, Morgante, P, Mullinax, J W, Oosterbaan, K J, Paran, G, Paul, A C, Paul, S K, Pavošević, F, Pei, Z, Prager, S, Proynov, E I, Rák, Á, Ramos-Cordoba, E, Rana, B, Rask, A E, Rettig, A, Richard, R M, Rob, F, Rossomme, E, Scheele, T, Scheurer, M, Schneider, M, Sergueev, N, Sharada, S M, Skomorowski, W, Small, D W, Stein, C J, Su, Y-C, Sundstrom, E J, Tao, Z, Thirman, J, Tornai, G J, Tsuchimochi, T, Tubman, N M, Veccham, S P, Vydrov, O, Wenzel, J, Witte, J, Yamada, A, Yao, K, Yeganeh, S, Yost, S R, Zech, A, Zhang, I Y, Zhang, X, Zhang, Y, Zuev, D, Aspuru-Guzik, A, Bell, A T, Besley, N A, Bravaya, K B, Brooks, B R, Casanova, D, Chai, J-D, Coriani, S, Cramer, C J, Cserey, G, DePrince, A E, DiStasio, R A, Dreuw, A, Dunietz, B D, Furlani, T R, Goddard, W A, Hammes-Schiffer, S, Head-Gordon, T, Hehre, W J, Hsu, C-P, Jagau, T-C, Jung, Y, Klamt, A, Kong, J, Lambrecht, D S, Liang, W, Mayhall, N J, McCurdy, C W, Neaton, J B, Ochsenfeld, C, Parkhill, J A, Peverati, R, Rassolov, V A, Shao, Y, Slipchenko, L V, Stauch, T, Steele, R P, Subotnik, J E, Thom, A J W, Tkatchenko, A, Truhlar, D G, Van Voorhis, T, Wesolowski, T A, Whaley, K B, Woodcock, H L, Zimmerman, P M, Faraji, S, Gill, P M W, Head-Gordon, M, Herbert, J M & Krylov, A I 2021, ' Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package ', Journal of Chemical Physics, vol. 155, no. 8, 084801 . https://doi.org/10.1063/5.0055522
The Journal of Chemical Physics, 155(8):084801. AMER INST PHYSICSمصطلحات موضوعية: 116 Chemical sciences, GENERALIZED-GRADIENT-APPROXIMATION, RAY-ABSORPTION SPECTRA, FRAGMENT POTENTIAL METHOD, General Physics and Astronomy, Physics, Atomic, Molecular & Chemical, 010402 general chemistry, Decomposition analysis, 01 natural sciences, Quantum chemistry, Software, TRANSFER EXCITED-STATES, DENSITY-FUNCTIONAL-THEORY, DIAGRAMMATIC CONSTRUCTION SCHEME, 0103 physical sciences, ddc:530, Physical and Theoretical Chemistry, Graphics, ENERGY DECOMPOSITION ANALYSIS, Physics, Science & Technology, 010304 chemical physics, Chemistry, Physical, business.industry, Suite, GAUSSIAN-BASIS SETS, Physik (inkl. Astronomie), Modular design, 3. Good health, 0104 chemical sciences, MOLECULAR-ORBITAL METHODS, Chemistry, Diagrammatic reasoning, Physical Sciences, Perturbation theory (quantum mechanics), business, Software engineering, SELF-CONSISTENT-FIELD
وصف الملف: application/pdf; Print;
PDF -
5
المؤلفون: Edvardas Narevicius, Christiane P. Koch, Natan Bibelnik, Etay Lavert-Ofir, Alon B. Henson, Wojciech Skomorowski, Yuval Shagam, Sasha Gersten
المصدر: Molecular Physics. 117:2128-2137
مصطلحات موضوعية: Range (particle radiation), Argon, Materials science, 010304 chemical physics, Branching fraction, Biophysics, chemistry.chemical_element, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Chemical reaction, 0104 chemical sciences, chemistry, Product (mathematics), Ionization, 0103 physical sciences, Physical and Theoretical Chemistry, Atomic physics, Constant (mathematics), Molecular Biology
-
6
المؤلفون: Wojciech Skomorowski, Anna I. Krylov
المصدر: The Journal of chemical physics. 154(8)
مصطلحات موضوعية: Free electron model, Physics, 010304 chemical physics, Continuum (topology), General Physics and Astronomy, Electron, 010402 general chemistry, 01 natural sciences, Effective nuclear charge, 0104 chemical sciences, Coupled cluster, Autoionization, Quantum mechanics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Physical and Theoretical Chemistry, Wave function, Valence electron
-
7
-
8
-
9
المؤلفون: Wojciech Skomorowski, Anna I. Krylov
المصدر: The Journal of Physical Chemistry Letters. 9:4101-4108
مصطلحات موضوعية: Physics, Electron density, 010304 chemical physics, Exciton, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Singular value, Atomic orbital, Excited state, Metastability, Quantum mechanics, 0103 physical sciences, General Materials Science, Physical and Theoretical Chemistry, Wave function, Excitation
-
10
المؤلفون: Wojciech Skomorowski, Ad van der Avoird, Christiane P. Koch, Nimrod Moiseyev, Yuval Shagam, Edvardas Narevicius, Liesbeth M. C. Janssen, Sebastiaan Y. T. van de Meerakker, Mariusz Pawlak, Piotr S. Żuchowski, Ayelet Klein
المساهمون: Soft Matter and Biological Physics
المصدر: Nature Physics, 13, 35-38
Nature Physics, 13, pp. 35-38
Nature Physics, 13(1), 35-38. Nature Publishing Groupمصطلحات موضوعية: Physics, Soft Condensed Matter & Nanomaterials (HFML), 010304 chemical physics, Intermolecular force, General Physics and Astronomy, 01 natural sciences, Quantization (physics), Quantum state, Excited state, 0103 physical sciences, Atom, ComputingMethodologies_DOCUMENTANDTEXTPROCESSING, Molecular and Laser Physics, Physics::Atomic Physics, Scattering theory, Atomic physics, Theoretical Chemistry, 010306 general physics, Anisotropy, Quantum
وصف الملف: application/pdf
-
11
المؤلفون: Anna I. Krylov, Wojciech Skomorowski
المصدر: The Journal of Chemical Physics. 154:084125
مصطلحات موضوعية: Physics, Auger electron spectroscopy, 010304 chemical physics, Plane wave, General Physics and Astronomy, Electron, 010402 general chemistry, 01 natural sciences, Resonance (particle physics), Effective nuclear charge, 0104 chemical sciences, Auger, Computational physics, Coupled cluster, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Physical and Theoretical Chemistry, Wave function
-
12
المؤلفون: E. A. Bormotova, Wojciech Skomorowski, I. Majewska, Robert Moszynski, Andrey V. Stolyarov, E. A. Pazyuk, S. V. Kozlov
المصدر: Physical Review A. 99
مصطلحات موضوعية: Physics, Ab initio, Multireference configuration interaction, Inverse, Spin–orbit interaction, 01 natural sciences, 010305 fluids & plasmas, Excited state, 0103 physical sciences, Atom, Physics::Atomic and Molecular Clusters, Atomic physics, 010306 general physics, Valence electron, Wave function
-
13
المصدر: The Journal of Physical Chemistry A. 120:3309-3315
مصطلحات موضوعية: Quantum Physics, Argon, Atomic Physics (physics.atom-ph), Ab initio, FOS: Physical sciences, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Physics - Atomic Physics, 0104 chemical sciences, chemistry, Penning ionization, Ionization, Metastability, Excited state, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Physics::Atomic Physics, Physical and Theoretical Chemistry, Atomic physics, Quantum Physics (quant-ph), Nuclear Experiment, 010306 general physics, Spectroscopy, Helium
-
14
المؤلفون: Christiane P. Koch, Yuval Shagam, Vitali Averbukh, Edvardas Narevicius, Wojciech Skomorowski, Renjie Yun, Ayelet Klein
المصدر: Nature Chemistry. 7:921-926
مصطلحات موضوعية: Physics, Astrochemistry, Hydrogen, General Chemical Engineering, Intermolecular force, chemistry.chemical_element, General Chemistry, Quantization (physics), chemistry, Reaction dynamics, Chemical physics, Quantum state, Excited state, Atomic physics, Ground state
-
15
المؤلفون: Wojciech Skomorowski, Anna I. Krylov, Sahil Gulania
مصطلحات موضوعية: Physics, Chemical Physics (physics.chem-ph), Valence (chemistry), Cyanopolyyne, General Physics and Astronomy, FOS: Physical sciences, 01 natural sciences, Molecular physics, chemistry.chemical_compound, Dipole, chemistry, Excited state, Physics - Chemical Physics, 0103 physical sciences, Bound state, Physics::Atomic and Molecular Clusters, Molecular orbital, Singlet state, Physical and Theoretical Chemistry, Physics::Chemical Physics, 010306 general physics, Ground state, 010303 astronomy & astrophysics
-
16
المؤلفون: Wojciech Skomorowski, Robert Moszynski
المصدر: Molecular Physics. 111:1414-1429
مصطلحات موضوعية: Physics, Kerr effect, Birefringence, Field (physics), Biophysics, Physics::Optics, Semiclassical physics, Condensed Matter Physics, Virial coefficient, Quantum electrodynamics, Diamagnetism, Physical and Theoretical Chemistry, Atomic physics, Molecular Biology, Refractive index, Quantum
-
17
المؤلفون: Wojciech Skomorowski, Monika Musiał, Michał Tomza, Robert Moszynski, Rosario González-Férez, Christiane P. Koch
المصدر: Molecular Physics. 111:1781-1797
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics, Atomic Physics (physics.atom-ph), Biophysics, Ab initio, FOS: Physical sciences, Multireference configuration interaction, Condensed Matter Physics, Diatomic molecule, Physics - Atomic Physics, Dipole, Coupled cluster, Ab initio quantum chemistry methods, Physics - Chemical Physics, Excited state, Physics::Atomic and Molecular Clusters, Physics::Chemical Physics, Physical and Theoretical Chemistry, Atomic physics, Ground state, Molecular Biology
-
18
المؤلفون: Zohar Amitay, Liat Levin, Christiane P. Koch, Wojciech Skomorowski, Leonid Rybak, Ronnie Kosloff
المصدر: Physical Review Letters. 114
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Quantum Physics, Materials science, Atomic Physics (physics.atom-ph), Phase (waves), FOS: Physical sciences, General Physics and Astronomy, Molecular physics, Physics - Atomic Physics, Pulse (physics), symbols.namesake, Nuclear magnetic resonance, Coherent control, Physics - Chemical Physics, Yield (chemistry), Femtosecond, Physics::Atomic and Molecular Clusters, symbols, Molecule, Physics::Atomic Physics, Coherent anti-Stokes Raman spectroscopy, Physics::Chemical Physics, Quantum Physics (quant-ph), Raman spectroscopy
-
19
المؤلفون: Robert Moszynski, Wojciech Skomorowski, Geoffrey Z. Iwata, Bart H. McGuyer, Mickey McDonald, Tanya Zelevinsky
المصدر: Physical review letters. 115(5)
مصطلحات موضوعية: Physics, Quantum Physics, Optical lattice, Atomic Physics (physics.atom-ph), FOS: Physical sciences, General Physics and Astronomy, Nanotechnology, Quantum chemistry, Diatomic molecule, Molecular physics, Physics - Atomic Physics, 3. Good health, Magnetic field, Quantization (physics), Ab initio quantum chemistry methods, Excited state, Molecule, Quantum Physics (quant-ph)
-
20Coherent control of bond making: The performance of rationally phase-shaped femtosecond laser pulses
مصطلحات موضوعية: Physics, Quantum Physics, Atomic Physics (physics.atom-ph), Wave packet, Phase (waves), FOS: Physical sciences, Condensed Matter Physics, Laser, Atomic and Molecular Physics, and Optics, law.invention, Physics - Atomic Physics, symbols.namesake, Coherent control, law, Molecular vibration, Femtosecond, Chirp, symbols, Physics::Atomic and Molecular Clusters, Physics::Atomic Physics, Atomic physics, Raman spectroscopy, Quantum Physics (quant-ph), Physics - Optics, Optics (physics.optics)
Full Text Finder