المؤلفون: Yang Yang, Guanjun Wang, Mingfei Zhou

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Cell Biology, Molecular Biology, Neuroscience, Physiology, Marine Biology, Cancer, Astronomical and Space Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, quantum chemistry calculations, induced electron transfer, bonding analyses reveal, induced metal cation, highly coordinated complexes, metal (+ ii, infrared photodissociation spectroscopy, covalent orbital interactions, 1 – 4, 2 +, 2 , orbital interactions, metal (+, infrared spectroscopy, – 1, 1 complexes, ≥ 2, n <, metal dications

Relation: https://figshare.com/articles/journal_contribution/Infrared_Spectroscopy_of_M_CO_sub_2_sub_sub_i_n_i_sub_sup_sup_M_Ca_Sr_and_Ba_i_n_i_1_4_in_the_Gas_Phase_Solvation-Induced_Electron_Transfer_and_Activation_of_CO_sub_2_sub_/24975552

الاتاحة: https://doi.org/10.1021/acs.jpca.3c08034.s001
https://figshare.com/articles/journal_contribution/Infrared_Spectroscopy_of_M_CO_sub_2_sub_sub_i_n_i_sub_sup_sup_M_Ca_Sr_and_Ba_i_n_i_1_4_in_the_Gas_Phase_Solvation-Induced_Electron_Transfer_and_Activation_of_CO_sub_2_sub_/24975552

المؤلفون: Nishshanka M. Lakshan, Dinesh C. Aluthge, W. M. C. Sameera

المصدر: Catalysts ; Volume 14 ; Issue 11 ; Pages: 816

مصطلحات موضوعية: transition metal clusters, metal–metal bonding, orbital interactions, reactions mechanisms, DFT

وصف الملف: application/pdf

Relation: Catalytic Materials; https://dx.doi.org/10.3390/catal14110816

الاتاحة: https://doi.org/10.3390/catal14110816

المؤلفون: Dan Liu, Xuefeng Guo, Shaoyuan Zhou, Luxuan Guo, Xiaoyong Zhang

مصطلحات موضوعية: Biochemistry, Microbiology, Developmental Biology, Environmental Sciences not elsewhere classified, work instead identified, orientation could affect, larger orbital interactions, generated tfo anion, computational work explored, previously proposed enolate, activated bcb cation, partially lewis acid, catalytically active species, activated bcb species, recently developed tmsotf, electrophile lewis acid, lewis acid, active species, bcb enolate, pristine bcb, bcb ketone, unsaturated substrates, relatively inactive, reaction kinetics, previous proposal, powerful strategy, mechanistic insight, greater electrophilicity, determining step, coordination mode

Relation: https://figshare.com/articles/journal_contribution/Mechanistic_Insight_into_Lewis_Acid-Catalyzed_Cycloaddition_of_Bicyclo_1_1_0_butanes_with_Ketene_Bicyclo_1_1_0_butanes_Serving_as_an_Electrophile/24923563

الاتاحة: https://doi.org/10.1021/acs.joc.3c02452.s001
https://figshare.com/articles/journal_contribution/Mechanistic_Insight_into_Lewis_Acid-Catalyzed_Cycloaddition_of_Bicyclo_1_1_0_butanes_with_Ketene_Bicyclo_1_1_0_butanes_Serving_as_an_Electrophile/24923563

المؤلفون: Shihan Li, Chao Qian, Xiao-Nan Wu, Shaodong Zhou

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Mental Health, Infectious Diseases, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, studied using quadrupole, several factors like, quantum chemical calculations, dynamic aspects gas, designing similar processes, 3 , atom exchange reactions, atom exchange, phase reactions, two systems, pivotal steps, orbital interactions, molecular dynamics, key step, energy barrier, binding energies, associated mechanisms, ambient temperature

Relation: https://figshare.com/articles/journal_contribution/Carbon-Atom_Exchange_between_MC_sub_2_sub_sup_sup_M_Os_and_Ir_and_Methane_on_the_Thermodynamic_and_Dynamic_Aspects/25027136

الاتاحة: https://doi.org/10.1021/acs.jpca.3c07961.s001
https://figshare.com/articles/journal_contribution/Carbon-Atom_Exchange_between_MC_sub_2_sub_sup_sup_M_Os_and_Ir_and_Methane_on_the_Thermodynamic_and_Dynamic_Aspects/25027136

المؤلفون: Youyi Sun

المصدر: ECS Advances, Vol 3, Iss 1, p 010503 (2024)

مصطلحات موضوعية: hydrogen evolution reaction, the reaction mechanism, orbital interactions, electrocatalytic reaction, Industrial electrochemistry, TP250-261

Relation: https://doi.org/10.1149/2754-2734/ad29d4; https://doaj.org/toc/2754-2734; https://doaj.org/article/e680a68eb1bf48bf8b95a331173e64da

الاتاحة: https://doi.org/10.1149/2754-2734/ad29d4
https://doaj.org/article/e680a68eb1bf48bf8b95a331173e64da

المؤلفون: Airan Li, Madison K. Brod, Yuechu Wang, Kejun Hu, Pengfei Nan, Shen Han, Ziheng Gao, Xinbing Zhao, Binghui Ge, Chenguang Fu, Shashwat Anand, G. Jeffrey Snyder, Tiejun Zhu

المصدر: Advanced Science, Vol 10, Iss 23, Pp n/a-n/a (2023)

مصطلحات موضوعية: bandgap engineering, d–d orbital interactions, electronic structure, half‐Heusler, semiconductors, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2198-3844

URL الوصول: https://doaj.org/article/d994bf8e68914b82b0798d2c9da2bff7

المؤلفون: Damen, Johannes A.M., Escorihuela, Jorge, Zuilhof, Han, van Delft, Floris L., Albada, Bauke

المصدر: Chemistry - A European Journal 29 (2023) 39 ; ISSN: 0947-6539

مصطلحات موضوعية: SPOCQ, TMTHSI, eyring plot, secondary orbital interactions, thermodynamic reaction parameters

وصف الملف: application/pdf

Relation: https://edepot.wur.nl/635761

الاتاحة: https://research.wur.nl/en/publications/high-rates-of-quinone-alkyne-cycloaddition-reactions-are-dictated
https://doi.org/10.1002/chem.202300231

المؤلفون: Ling-Ling Su, Qun-Yan Wu, Cong-Zhi Wang, Jian-Hui Lan, Wei-Qun Shi

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, strongest binding ability, gibbs free energy, derived tetradentate ligands, daphen (< b, iii )/ ln, iii )/ eu, coordinated n atoms, iii )], iii ), widely explored, vital role, various n, trivalent actinides, structural preorganization, orbital interactions, important role, heterocyclic skeleton, heterocyclic ligands, four ligands, extraction reactions, electronic structures, efficient ligands

Relation: https://figshare.com/articles/journal_contribution/Heterocyclic_Ligands_with_Different_N_O_Donor_Modes_for_Am_III_Eu_III_Separation_A_Theoretical_Perspective/24760153

الاتاحة: https://doi.org/10.1021/acs.inorgchem.3c03229.s001
https://figshare.com/articles/journal_contribution/Heterocyclic_Ligands_with_Different_N_O_Donor_Modes_for_Am_III_Eu_III_Separation_A_Theoretical_Perspective/24760153

المؤلفون: Xiyue Dong, Rui Wang, Yuping Gao, Qin Ling, Ziyang Hu, Mingqian Chen, Hang Liu, Yongsheng Liu

مصطلحات موضوعية: Biophysics, Pharmacology, Biotechnology, Ecology, Developmental Biology, Cancer, Plant Biology, Space Science, Environmental Sciences not elsewhere classified, Astronomical and Space Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, treated 3d pscs, promising photovoltaic materials, organic spacer layers, organic semiconductor spacer, insulating organic spacer, efficient solar cells, efficient charge transport, based semiconductor spacer, 2d dj perovskite, dj perovskite based, 3thdma extensively overlap, devices based, successfully synthesized, orbital interactions, n <, interesting finding, inorganic components, important insight

Relation: https://figshare.com/articles/journal_contribution/Orbital_Interactions_in_2D_Dion_Jacobson_Perovskites_Using_Oligothiophene-Based_Semiconductor_Spacers_Enable_Efficient_Solar_Cells/24869086

الاتاحة: https://doi.org/10.1021/acs.nanolett.3c03887.s002
https://figshare.com/articles/journal_contribution/Orbital_Interactions_in_2D_Dion_Jacobson_Perovskites_Using_Oligothiophene-Based_Semiconductor_Spacers_Enable_Efficient_Solar_Cells/24869086

المؤلفون: Swapan Sinha, Santanab Giri

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biotechnology, Immunology, Marine Biology, Hematology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, principal interacting orbital, bu )< sub, natural bond orbital, 6 , 3 , 2 , reaction electronic flux, disulfide bond dissociation, disulfide bond cleavage, disulfide bond, , orbital interactions, electronic activity, used like, synchronous nature, silico investigation, separations give, reaction force, nonpolar solvents

Relation: https://figshare.com/articles/journal_contribution/In_Silico_Investigation_of_the_Mechanism_of_Disulfide_Bond_Dissociation_by_New_Frustrated_Lewis_Pairs/24908059

الاتاحة: https://doi.org/10.1021/acs.jpca.3c06351.s001
https://figshare.com/articles/journal_contribution/In_Silico_Investigation_of_the_Mechanism_of_Disulfide_Bond_Dissociation_by_New_Frustrated_Lewis_Pairs/24908059

المؤلفون: Yucheng Zhu, Xiaofei Cao, Yuan Tan, Yao Wang, Jun Hu, Baotong Li, Zhong Chen

المصدر: Coatings; Volume 13; Issue 2; Pages: 283

مصطلحات موضوعية: two-dimensional materials, DFT, elastic constants, negative Poisson’s ratio, first-principles calculations, strong p-d orbital interactions

وصف الملف: application/pdf

Relation: Bioactive Coatings and Biointerfaces; https://dx.doi.org/10.3390/coatings13020283

الاتاحة: https://doi.org/10.3390/coatings13020283

المؤلفون: Eckert, Sebastian, Winghart, Marc-Oliver, Kleine, Carlo, Banerjee, Ambar, Ekimova, Maria, Ludwig, Jan, Harich, Jessica, Fondell, Mattis, Mitzner, Rolf, Pines, Ehud, Huse, Nils, Wernet, Philippe, Odelius, Michael, Nibbering, Erik T. J.

المصدر: Angewandte Chemie International Edition. 61(27)

مصطلحات موضوعية: Aromaticity, Electronic Structure, Orbital Interactions, Photoacids, Time-Resolved Soft x-Ray Spectroscopy

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-204989
https://doi.org/10.1002/anie.202200709

المؤلفون: Prof. Ken Sakata, Prof. Emeritus Dr. Hiroshi Fujimoto

المصدر: ChemistryOpen, Vol 9, Iss 6, Pp 662-666 (2020)

مصطلحات موضوعية: cycloaddition reactions, Lewis acids, density functional calculations, orbital interactions, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2191-1363

URL الوصول: https://doaj.org/article/d9530eb046504695b7698f6fa0f93028

المؤلفون: Jianwei Qin (4229011), Fang Li (41162), Ruizhi Qiu (5164607), Liang Chen (73736), Lizhu Luo (3206475), Min Wang (21070), Zhen Pu (5047091), Maobing Shuai (3397139)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Physiology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, isolation infrared spectroscopy, energy decomposition analysis, better energy matching, bears little resemblance, backdonation increases significantly, total attractions increase, isovalent metal dioxides, co activation ability, pairwise interactions shows, → co π, 2v , 2 , nd ­( η, co π, c <, ­( η, metal elements, gradual increase, co moiety, 2 %), weak interactions, orbital interactions

Relation: https://figshare.com/articles/journal_contribution/Insights_into_the_Metal_CO_Bond_in_O_sub_2_sub_M_sup_1_sup_CO_M_Cr_Mo_W_Nd_and_U_Complexes/18550863

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c03257.s001

المؤلفون: Eckert, S., Winghart, M. O., Kleine, C., Banerjee, A., Ekimova, M., Ludwig, J., Harich, J., Fondell, M., Mitzner, R., Pines, E., Huse, N., Wernet, P., Odelius, M., Nibbering, E.T. J.

مصطلحات موضوعية: Aromaticity, Electronic Structure, Orbital Interactions, Photoacids, Time Resolved Soft x Ray Spectroscopy

وصف الملف: application/pdf

Relation: http://www.helmholtz-berlin.de/pubbin/oai_publication?VT=1&ID=107534

الاتاحة: http://www.helmholtz-berlin.de/pubbin/oai_publication?VT=1&ID=107534

المؤلفون: Eisner, F, Letelier, JR

مصطلحات موضوعية: orbital interactions, orbital forces, 03 Good Health and Well-being, 03 Salud y bienestar

وصف الملف: 6 páginas; application/pdf

Relation: https://repositorio.uc.cl/handle/11534/77663; WOS:000186578700003

الاتاحة: https://repositorio.uc.cl/handle/11534/77663
https://doi.org/10.1002/jccs.200300134

المؤلفون: Silva, Daniela Rodrigues, Santos, Lucas de Azevedo, Hamlin, Trevor A., Bickelhaupt, F. Matthias, Freitas, Matheus P., Guerra, Célia Fonseca

المصدر: Physical Chemistry Chemical Physics

مصطلحات موضوعية: Rotational energy profiles, Orbital interactions, Electrostatic interactions

وصف الملف: application/pdf

Relation: SILVA, D. R. et al. Dipolar repulsion in α-halocarbonyl compounds revisited. Physical Chemistry Chemical Physics, [S.l.], v. 23, p. 20883-20891, Sept. 2021. DOI:10.1039/d1cp02502c.; http://repositorio.ufla.br/jspui/handle/1/48796

الاتاحة: http://repositorio.ufla.br/jspui/handle/1/48796

المؤلفون: Bruna L. Perotti (11402657), Antonio Cammarata (1584730), Felipe Cemin (9556916), Saron R. Sales de Mello (11402660), Leonardo M. Leidens (6651587), Fernando G. Echeverrigaray (11402663), Tiberiu Minea (11402666), Fernando Alvarez (127077), Alexandre F. Michels (1631350), Tomas Polcar (1521442), Carlos A. Figueroa (6651596)

مصطلحات موضوعية: Biophysics, Cell Biology, Physiology, Science Policy, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, atomic orbital interactions, ab initio simulations, report active control, 2 , thin films, sliding interface, nonreversible process, dry sliding, contact conditions, 60 %

Relation: https://figshare.com/articles/journal_contribution/Phototribology_Control_of_Friction_by_Light/16583300

الاتاحة: https://doi.org/10.1021/acsami.1c13054.s001

المؤلفون: Iván Cortés (11527665), Jorge Juan Cabrera-Trujillo (6732341), Israel Fernández (1337601)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Biotechnology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, molecular orbital interactions, key factor responsible, detail using state, activation strain model, 2 , thermodynamic points, systematically much, related compounds, quantitatively analyzed, observed trends, doped systems, different dienophiles, computational tools, carbon counterparts, calculations reveal, boron atoms, art methods

Relation: https://figshare.com/articles/journal_contribution/Influence_of_the_CH_B_replacement_on_the_Reactivity_of_Boranthrene_and_Related_Compounds/16749978

الاتاحة: https://doi.org/10.1021/acsorginorgau.1c00023.s001

المؤلفون: Hayoung Song (1619023), Giyun Kwon (9205168), Cooper Citek (1671502), Seungwon Jeon (1780354), Kisuk Kang (1315905), Eunsung Lee (388457)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Pharmacology, Biotechnology, Evolutionary Biology, Sociology, Infectious Diseases, Virology, Space Science, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, electron paramagnetic resonance, additional theoretical studies, substituted ferrocene derivative, derivatized ferrocene anolyte, imidazolium -/ pyrrolinium, 57 , zwitterionic ferrocenate derivatives, ferrocene anolyte, metallocenate derivatives, various applications, thermal stability, successfully demonstrated, rational design, orbital interactions, intrinsic chemistry, flow batteries

Relation: https://figshare.com/articles/journal_contribution/Pyrrolinium-Substituted_Persistent_Zwitterionic_Ferrocenate_Derivative_Enabling_the_Application_of_Ferrocene_Anolyte/16677327

الاتاحة: https://doi.org/10.1021/acsami.1c11571.s001