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Chemical Physics Letters, ISSN 0009-2614, 07/2018, Volume 703, pp. 106 - 111
Unique technical challenges and their solutions for implementing semi-numerical Hartree-Fock exchange on the Phil Processor are discussed, especially... 
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2017, Volume 13, Issue 6, p. 2571
Density functional theory (DFT) is widely applied in chemistry and physics. Still it fails to correctly predict quantitatively or even qualitatively for... 
Exchanging | Alanine | Algorithms | Basis functions | Peptides | Flux density | Mathematical analysis | Density functional theory | Molecular chains
Journal Article
by Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T.B and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree and Goldey, Matthew and Horn, Paul R and Jacobson, Leif D and Kaliman, Ilya and Khaliullin, Rustam Z and Kuś, Tomasz and Landau, Arie and Liu, Jie and Proynov, Emil I and Rhee, Young Min and Richard, Ryan M and Rohrdanz, Mary A and Steele, Ryan P and Sundstrom, Eric J and Woodcock, H. Lee and Zimmerman, Paul M and Zuev, Dmitry and Albrecht, Ben and Alguire, Ethan and Austin, Brian and Beran, Gregory J. O and Bernard, Yves A and Berquist, Eric and Brandhorst, Kai and Bravaya, Ksenia B and Brown, Shawn T and Casanova, David and Chang, Chun-Min and Chen, Yunqing and Chien, Siu Hung and Closser, Kristina D and Crittenden, Deborah L and Diedenhofen, Michael and DiStasio, Robert A and Do, Hainam and Dutoi, Anthony D and Edgar, Richard G and Fatehi, Shervin and Fusti-Molnar, Laszlo and Ghysels, An and Golubeva-Zadorozhnaya, Anna and Gomes, Joseph and Hanson-Heine, Magnus W.D and Harbach, Philipp H.P and Hauser, Andreas W and Hohenstein, Edward G and Holden, Zachary C and Jagau, Thomas-C and Ji, Hyunjun and Kaduk, Benjamin and Khistyaev, Kirill and Kim, Jaehoon and Kim, Jihan and King, Rollin A and Klunzinger, Phil and Kosenkov, Dmytro and Kowalczyk, Tim and Krauter, Caroline M and Lao, Ka Un and Laurent, Adèle D and Lawler, Keith V and Levchenko, Sergey V and Lin, Ching Yeh and Liu, Fenglai and Livshits, Ester and Lochan, Rohini C and Luenser, Arne and Manohar, Prashant and Manzer, Samuel F and Mao, Shan-Ping and Mardirossian, Narbe and Marenich, Aleksandr V and Maurer, Simon A and Mayhall, Nicholas J and Neuscamman, Eric and Oana, C. Melania and Olivares-Amaya, Roberto and O'Neill, Darragh P and Parkhill, John A and Perrine, Trilisa M and Peverati, Roberto and Prociuk, Alexander and Rehn, Dirk R and Rosta, Edina and Russ, Nicholas J and Sharada, Shaama M and Sharma, Sandeep and Small, David W and Sodt, Alexander and ...
Molecular Physics, ISSN 0026-8976, 01/2015, Volume 113, Issue 2, pp. 184 - 215
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2017, Volume 13, Issue 6, pp. 2571 - 2580
Density functional theory (DFT) is widely applied in chemistry and physics. Still it fails to correctly predict quantitatively or even qualitatively for... 
INTEGRALS | SCHEME | POLYATOMIC-MOLECULES | THERMOCHEMICAL KINETICS | HARTREE-FOCK EQUATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | STATE | LOCAL HYBRID FUNCTIONALS | PROGRAM | PSEUDOSPECTRAL METHOD | ELECTRONIC-STRUCTURE
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 05/2019, Volume 150, Issue 20, p. 204101
Becke’13 (B13) is a general density functional theory (DFT) designed for strongly correlated molecules. Kong-Proynov’16/B13 (KP16/B13) is a modification of B13... 
NONLOCALITY | THERMOCHEMISTRY | KINETICS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ERROR | EXCHANGE | HARTREE-FOCK | EFFICIENT | MOLECULES | Exchanging | Organic chemistry | Density functional theory | Correlation | Parameters | Chemical properties
Journal Article
Animal Science Journal, ISSN 1344-3941, 04/2019, Volume 90, Issue 4, pp. 554 - 562
Journal Article
Scientific Reports, ISSN 2045-2322, 12/2018, Volume 8, Issue 1, pp. 5689 - 8
The aim of the current study was to find the epileptic focus and examine its causal relationship to other brain regions in children with new-onset benign... 
TEMPORAL SPIKES | ROLANDIC EPILEPSY | MULTIDISCIPLINARY SCIENCES | FUNCTIONAL CONNECTIVITY | DYNAMICS | REORGANIZATION | LANGUAGE NETWORKS | CHILDHOOD EPILEPSY | SENSORIMOTOR | TRANSLATION | FMRI | Neuroimaging | Frontal lobe | Magnetic resonance imaging | Language | Neural networks | Epilepsy | Benign | Brain mapping | Functional magnetic resonance imaging | Children
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 10/2013, Volume 88, Issue 4
Journal Article
Physical Review A, ISSN 1050-2947, 10/2013, Volume 88, Issue 4
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 08/2015, Volume 143, Issue 8, p. 084125
Journal Article
Journal of Animal Science, ISSN 0021-8812, 06/2018, Volume 96, Issue 6, pp. 2184 - 2194
Abstract The objective of this experiment was to determine the NE content of different dietary lipids fed to growing pigs using indirect calorimetry.... 
growing pigs | dietary lipids | Feeds | net energy | indirect calorimetry
Journal Article
Journal of Animal Science, ISSN 0021-8812, 05/2018, Volume 96, Issue 5, pp. 1877 - 1888
Abstract The objective of this experiment was to determine the effects of increased fiber content in diets on heat production (HP) and NE:ME ratio and to... 
Non Ruminant Nutrition | growing pig | heat production | coproduct | net energy | indirect calorimetry
Journal Article