المؤلفون: Jiaojiao Zou, Lin Wang, Kiran Acharya, Xiaoru Hou, Lifeng Li, Yanqiu Li, Xiaoyi Hu, Xiaotao Xing

المصدر: BMC Oral Health, Vol 24, Iss 1, Pp 1-9 (2024)

مصطلحات موضوعية: CPMD, Surgical reduction, Manual reduction, Elastic intermaxillary traction, Functional training, Dentistry, RK1-715

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1472-6831

URL الوصول: https://doaj.org/article/f99767191c894930a468b14cc55bfcc9

المؤلفون: Howell, Rebecca, Johnson, Christopher, Allen, Jacqui, Altaye, Mekibib, Amin, Milan, Bayan, Semirra, Belafsky, Peter, Cervenka, Brian, Desilva, Brad, Dion, Gregory R, Ekbom, Dale, Friedman, Aaron, Fritz, Mark, Giliberto, John Paul, Guardiani, Elizabeth, Kasperbauer, Jan, Kim, Brandon, Krekeler, Brittany N, Kuhn, Maggie, Kwak, Paul, Ma, Yue, Madden, Lyndsay L, Matrka, Laura, Mayerhoff, Ross, McKeon, Mallory, Piraka, Cyrus, Rosen, Clark A, Tabangin, Meredith, Wahab, Shaun A, Wilson, Keith, Wright, Carter, Young, VyVy N, Postma, Gregory, Prospective OUtcomes of Cricopharyngeal Hypertonicity (POUCH) Collaborative

مصطلحات موضوعية: Prospective OUtcomes of Cricopharyngeal Hypertonicity (POUCH) Collaborative, CPMD, Zenker, cricopharyngeal bar, cricopharyngeal dysfunction, cricopharyngeus muscle dysfunction, hypopharyngeal diverticulum, pharyngoesophageal dysphagia, 32 Biomedical and Clinical Sciences, 3202 Clinical Sciences, Rare Diseases, Digestive Diseases, Clinical Research, Patient Safety, Cancer, Science & Technology, Life Sciences & Biomedicine, Medicine, Research & Experimental, Otorhinolaryngology, Research & Experimental Medicine, QUALITY-OF-LIFE, MANAGEMENT, 1103 Clinical Sciences

جغرافية الموضوع: United States

وصف الملف: Print-Electronic; application/pdf

Relation: The Laryngoscope; (2023). The Laryngoscope.; https://hdl.handle.net/2292/66144; 37191092 (pubmed)

الاتاحة: https://hdl.handle.net/2292/66144
https://doi.org/10.1002/lary.30753

المؤلفون: Kinga Jóźwiak, Aneta Jezierska, Jarosław J. Panek, Andrzej Kochel, Aleksander Filarowski

المصدر: International Journal of Molecular Sciences; Volume 24; Issue 6; Pages: 5248

مصطلحات موضوعية: phthalic acid, proton dynamics, hydrogen bond, steric repulsion, X-ray, IR, Raman, CPMD, DFT

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms24065248

الاتاحة: https://doi.org/10.3390/ijms24065248

المؤلفون: Beata Kizior, Mariusz Michalczyk, Jarosław J. Panek, Wiktor Zierkiewicz, Aneta Jezierska

المصدر: International Journal of Molecular Sciences; Volume 24; Issue 2; Pages: 1542

مصطلحات موضوعية: “proton sponge”, gas phase, crystalline phase, Hirshfeld surface, CPMD, PIMD, metadynamics, QTAIM, DORI

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms24021542

الاتاحة: https://doi.org/10.3390/ijms24021542

المؤلفون: Kamil Wojtkowiak, Mariusz Michalczyk, Wiktor Zierkiewicz, Aneta Jezierska, Jarosław J. Panek

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 22; Pages: 13701

مصطلحات موضوعية: Carbonic Anhydrase IX mimic, acetazolamide, non-covalent interactions, binding pocket, METD, DFT, SAPT, CPMD, PIMD

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms232213701

الاتاحة: https://doi.org/10.3390/ijms232213701

المؤلفون: Michał Pocheć, Katarzyna M. Krupka, Jarosław J. Panek, Kazimierz Orzechowski, Aneta Jezierska

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 4; Pages: 2138

مصطلحات موضوعية: n-octanol, melting, premelting, intermolecular hydrogen bond, solid state, IR, NDE, classical MD, CPMD, PIMD

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms23042138

الاتاحة: https://doi.org/10.3390/ijms23042138

المؤلفون: Michał Pocheć, Katarzyna M. Krupka, Jarosław J. Panek, Kazimierz Orzechowski, Aneta Jezierska

المصدر: Molecules; Volume 27; Issue 4; Pages: 1225

مصطلحات موضوعية: n-octanol, hydrogen bond, isotope effect, gas phase, liquid phase, FTIR, DFT, PCM, AIM, SAPT, classical MD, CPMD, PIMD, snapshot-envelope

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry; https://dx.doi.org/10.3390/molecules27041225

الاتاحة: https://doi.org/10.3390/molecules27041225

المؤلفون: Kamil Wojtkowiak, Aneta Jezierska, Jarosław J. Panek

المصدر: Molecules; Volume 27; Issue 7; Pages: 2299

مصطلحات موضوعية: quinolone carboxylic acid, AIM, NBO, SAPT, CPMD, PIMD

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Computational and Theoretical Chemistry; https://dx.doi.org/10.3390/molecules27072299

الاتاحة: https://doi.org/10.3390/molecules27072299

المؤلفون: Holroyd, Leo

المساهمون: van Mourik, Tanja

مصطلحات موضوعية: 547, 5-Bromouracil, Point mutations, Keto-enol tautomerism, Rare tautomer hypothesis, Wobble pair, Base stacking, Density functional theory, Coupled cluster, CPMD

URL الوصول: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.658895

المؤلفون: Kamil Wojtkowiak, Aneta Jezierska

المصدر: Molecules, Vol 27, Iss 24, p 8847 (2022)

مصطلحات موضوعية: hydrogen bond, non-covalent interactions, spectroscopic signatures, CPMD, PIMD, QTAIM, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/27/24/8847; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/6b9853cf57884e69862819333be4fe3d

المؤلفون: Villard, Justin, Bircher, Martin P., Rothlisberger, Ursula

مصطلحات موضوعية: Computational chemistry, Method development, Correlation energy, Møller-Plesset perturbation theory, Plane-wave basis set, CPMD

Relation: https://zenodo.org/communities/sacc-springmeeting-2021; https://doi.org/10.5281/zenodo.4539979; https://doi.org/10.5281/zenodo.4539980; oai:zenodo.org:4539980

الاتاحة: https://doi.org/10.5281/zenodo.4539980

المؤلفون: Mirsakiyeva, Amina, Botkina, Darya, Elgammal, Karim, Ten, Assel, Hugosson, Hakan W., Delin, Anna, Yu, Valentina

المصدر: ARKIVOC. :86-99

مصطلحات موضوعية: Piperidine, acetylene glycols, CPMD, MD, density functional theory, plant growth stimulation

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-299524
https://uu.diva-portal.org/smash/get/diva2:949659/FULLTEXT01.pdf

المؤلفون: Lüchow, Arne, Jezierska, Aneta, Panek, Jarosław, Klahm, Sebastian, Błaziak, Kacper

مصطلحات موضوعية: Naphthazarin C, 5,8-dihydroxynaphthalene-1, 4-dione, hydrogen bond, gas phase, crystalline phase, DFT, MP2, DQMC, CC, HOMA index, Fukui function, AIM, SAPT, CPMD

Relation: International Journal of Molecular Sciences; 8033; https://repozytorium.uw.edu.pl//handle/item/113834

الاتاحة: https://repozytorium.uw.edu.pl//handle/item/113834
https://doi.org/10.3390/IJMS22158033

المؤلفون: Shi Yu, Ruizhi Chu, Xiao Li, Guoguang Wu, Xianliang Meng

المصدر: Entropy; Volume 24; Issue 1; Pages: 71

مصطلحات موضوعية: ReaxFF, CPMD, brown coal oxidation, ab initio molecular dynamics

وصف الملف: application/pdf

Relation: https://dx.doi.org/10.3390/e24010071

الاتاحة: https://doi.org/10.3390/e24010071

المؤلفون: Karol Kułacz, Michał Pocheć, Aneta Jezierska, Jarosław J. Panek

المصدر: Molecules; Volume 26; Issue 18; Pages: 5642

مصطلحات موضوعية: intramolecular hydrogen bonds, gas phase, crystalline phase, DFT, MP2, CCSD, AIM, SAPT, nuclear quantum effects, CPMD

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Computational and Theoretical Chemistry; https://dx.doi.org/10.3390/molecules26185642

الاتاحة: https://doi.org/10.3390/molecules26185642

المؤلفون: Michał Pocheć, Karol Kułacz, Jarosław J. Panek, Aneta Jezierska

المصدر: International Journal of Molecular Sciences; Volume 22; Issue 19; Pages: 10357

مصطلحات موضوعية: 1,4-naphthoquinone derivatives, substituent effect, DFT, HOMA, Hirshfeld atomic charges, cSAR, CPMD

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms221910357

الاتاحة: https://doi.org/10.3390/ijms221910357

المؤلفون: Aneta Jezierska, Kacper Błaziak, Sebastian Klahm, Arne Lüchow, Jarosław J. Panek

المصدر: International Journal of Molecular Sciences; Volume 22; Issue 15; Pages: 8033

مصطلحات موضوعية: Naphthazarin C, 5,8-dihydroxynaphthalene-1,4-dione, hydrogen bond, gas phase, crystalline phase, DFT, MP2, DQMC, CC, HOMA index, Fukui function, AIM, SAPT, CPMD

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms22158033

الاتاحة: https://doi.org/10.3390/ijms22158033

المؤلفون: Kamil Raczyński, Andrzej Pihut, Jarosław J. Panek, Aneta Jezierska

المصدر: Molecules; Volume 26; Issue 11; Pages: 3448

مصطلحات موضوعية: anthraquinone, DFT, MP2, AIM, ELF, SAPT, TD-DFT, CPMD

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Computational and Theoretical Chemistry; https://dx.doi.org/10.3390/molecules26113448

الاتاحة: https://doi.org/10.3390/molecules26113448

المؤلفون: Jarosław J. Panek, Joanna Zasada, Bartłomiej M. Szyja, Beata Kizior, Aneta Jezierska

المصدر: International Journal of Molecular Sciences; Volume 22; Issue 10; Pages: 5220

مصطلحات موضوعية: benzo[h]quinoline, gas phase, solvent, crystalline phase, CPMD, O-H stretching envelope, 1D and 2D Pmf, CDFT, ELF

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms22105220

الاتاحة: https://doi.org/10.3390/ijms22105220

المؤلفون: Beata Kizior, Jarosław J. Panek, Bartłomiej M. Szyja, Aneta Jezierska

المصدر: Symmetry; Volume 13; Issue 4; Pages: 564

مصطلحات موضوعية: naphthoquinone, anthraquinone, DFT, HOMA, AIM, SAPT, TD-DFT, CPMD

وصف الملف: application/pdf

Relation: Chemistry and Symmetry/Asymmetry; https://dx.doi.org/10.3390/sym13040564

الاتاحة: https://doi.org/10.3390/sym13040564