Sason S Shaik (Sason Shaik)

ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 83

Top Venues

Journal of the American Chemical Society

Angewandte Chemie (International ed. in English)

Chemical science

The journal of physical chemistry. A

Hebrew University of Jerusalem Faculty of Science

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Hebrew University of Jerusalem Faculty of Science Mar 01 1992

Israel

Professor, Director of the Lise Meitner-Minerva Center :: Institute of Chemistry

Publications

Shailja Jain, David Danovich, Sason S Shaik
Dinitrogen Activation within Frustrated Lewis Pairs Is Promoted by Adding External Electric Fields. The journal of physical chemistry. A (2024)
Shalini Yadav, Sason S Shaik, Kshatresh Dutta Dubey
On the engineering of reductase-based-monooxygenase activity in CYP450 peroxygenases. Chemical science 15 (14) (2024)
Shailja Jain, David Danovich, Sason S Shaik
Dinitrogen Activation within Frustrated Lewis Pairs Is Promoted by Adding External Electric Fields. The journal of physical chemistry. A (2024)
Sason S Shaik
My Vision of Electric-Field-Aided Chemistry in 2050. ACS physical chemistry Au 4 (3) (2024)
Shalini Yadav, Sason S Shaik, Kshatresh Dutta Dubey
On the engineering of reductase-based-monooxygenase activity in CYP450 peroxygenases. Chemical science 15 (14) (2024)
Shailja Jain, David Danovich, Sason S Shaik
Dinitrogen Activation within Frustrated Lewis Pairs Is Promoted by Adding External Electric Fields. The journal of physical chemistry. A 128 (23) (2024)
Sason S Shaik
My Vision of Electric-Field-Aided Chemistry in 2050. ACS physical chemistry Au 4 (3) (2024)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Giuseppe Cassone, Franz Saija, Jiřı Šponer, Sason S Shaik
The Reactivity-Enhancing Role of Water Clusters in Ammonia Aqueous Solutions. The journal of physical chemistry letters (2023)
Yao Wu, Cong Zhao, Yanzhuang Su, Sason S Shaik, Wenzhen Lai
Mechanistic Insight into Peptidyl-Cysteine Oxidation by the Copper-Dependent Formylglycine-Generating Enzyme. Angewandte Chemie (International ed. in English) 62 (7) (2023)
Shalini Yadav, Sason S Shaik, Kshatresh Dutta Dubey
Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450 OleT . The journal of physical chemistry. B (2023)
Sason S Shaik, David Danovich, Richard N Zare
Valence Bond Theory Allows a Generalized Description of Hydrogen Bonding. Journal of the American Chemical Society (2023)
Leah Fuhrman Javitt, Surajit Kalita, Kshatresh Dutta Dubey, David Ehre, Sason S Shaik, Meir Lahav, Igor Lubomirsky
Electro-Freezing of Supercooled Water Is Induced by Hydrated Al 3+ and Mg 2+ Ions: Experimental and Theoretical Studies. Journal of the American Chemical Society (2023)
Yao Wu, Cong Zhao, Yanzhuang Su, Sason S Shaik, Wenzhen Lai
Mechanistic Insight into Peptidyl-Cysteine Oxidation by the Copper-Dependent Formylglycine-Generating Enzyme. Angewandte Chemie (International ed. in English) 62 (7) (2023)
Zhanfeng Wang, Wenwen Diao, Peng Wu, Junfeng Li, Yuzhuang Fu, Zhiyong Guo, Zexing Cao, Sason S Shaik, Binju Wang
How the Conformational Movement of the Substrate Drives the Regioselective C-N Bond Formation in P450 TleB: Insights from Molecular Dynamics Simulations and Quantum Mechanical/Molecular Mechanical Calculations. Journal of the American Chemical Society (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Chun Tang, Thijs Stuyver, Taige Lu, Junyang Liu, Yiling Ye, Tengyang Gao, Luchun Lin, Jueting Zheng, Wenqing Liu, Jia Shi, Sason S Shaik, Haiping Xia, Wenjing Hong
Voltage-driven control of single-molecule keto-enol equilibrium in a two-terminal junction system. Nature communications 14 (1) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Yao Wu, Cong Zhao, Yanzhuang Su, Sason S Shaik, Wenzhen Lai
Mechanistic Insight into Peptidyl-Cysteine Oxidation by the Copper-Dependent Formylglycine-Generating Enzyme. Angewandte Chemie (International ed. in English) 62 (7) (2023)
Shakir Ali Siddiqui, Sason S Shaik, Surajit Kalita, Kshatresh Dutta Dubey
A porphyrin-based molecular cage guided by designed local-electric field is highly selective and efficient. Chemical science 14 (37) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Yirong Mo, David Danovich, Sason S Shaik
Correction to: The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods. Journal of molecular modeling 28 (10) (2022)
Kshatresh Dutta Dubey, Thijs Stuyver, Sason S Shaik
Local Electric Fields: From Enzyme Catalysis to Synthetic Catalyst Design. The journal of physical chemistry. B (2022)
Binju Wang, Xuan Zhang, Wenhan Fang, Carme Rovira, Sason S Shaik
How Do Metalloproteins Tame the Fenton Reaction and Utilize •OH Radicals in Constructive Manners? Accounts of chemical research 55 (16) (2022)
Yirong Mo, David Danovich, Sason S Shaik
The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods. Journal of molecular modeling 28 (9) (2022)
Yao Wu, Cong Zhao, Yanzhuang Su, Sason S Shaik, Wenzhen Lai
Mechanistic Insight into Peptidyl-Cysteine Oxidation by the Copper-Dependent Formylglycine-Generating Enzyme. Angewandte Chemie (International ed. in English) (2022)
Slađana Đorđević, Slavko Radenković, Sason S Shaik, Benoît Braïda
On the Nature of the Bonding in Coinage Metal Halides. Molecules (Basel, Switzerland) 27 (2) (2022)
Shalini Yadav, Sason S Shaik, Shakir Ali Siddiqui, Surajit Kalita, Kshatresh Dutta Dubey
Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβ. Journal of chemical information and modeling 62 (4) (2022)
Shaohong Wang, Pengchen Ma, Sason S Shaik, Hui Chen
Valence-Inverted States of Nickel(II) Complexes Perform Facile C-H Bond Activation. Journal of the American Chemical Society 144 (32) (2022)
Binju Wang, Peng Wu, Sason S Shaik
Critical Roles of Exchange and Superexchange Interactions in Dictating Electron Transfer and Reactivity in Metalloenzymes. The journal of physical chemistry letters 13 (13) (2022)
Wei Peng, Shengheng Yan, Xuan Zhang, Langxing Liao, Jinyan Zhang, Sason S Shaik, Binju Wang
How Do Preorganized Electric Fields Function in Catalytic Cycles? The Case of the Enzyme Tyrosine Hydroxylase. Journal of the American Chemical Society 144 (44) (2022)
Zhanfeng Wang, Sason S Shaik, Binju Wang
Conformational Motion of Ferredoxin Enables Efficient Electron Transfer to Heme in the Full-Length P450TT. Journal of the American Chemical Society 143 (2) (2021)
Jyothish Joy, David Danovich, Sason S Shaik
Nature of the Trigger Linkage in Explosive Materials Is a Charge-Shift Bond. The Journal of organic chemistry 86 (21) (2021)
Thijs Stuyver, Sason S Shaik
Promotion Energy Analysis Predicts Reaction Modes: Nucleophilic and Electrophilic Aromatic Substitution Reactions. Journal of the American Chemical Society 143 (11) (2021)
Surajit Kalita, Sason S Shaik, Kshatresh Dutta Dubey
MD simulations and QM/MM calculations reveal the key mechanistic elements which are responsible for the efficient C-H amination reaction performed by a bioengineered P450 enzyme. Chemical science 12 (43) (2021)
Sason S Shaik, David Danovich, Philippe C Hiberty
Valence Bond Theory-Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects. Molecules (Basel, Switzerland) 26 (6) (2021)
Slavko Radenković, Sason S Shaik, Benoît Braïda
Na⋅⋅⋅B Bond in NaBH3 - : Solving the Conundrum. Angewandte Chemie (International ed. in English) 60 (23) (2021)
Thijs Stuyver, Sason S Shaik
Resolving Entangled Reactivity Modes through External Electric Fields and Substitution: Application to E2/SN2 Reactions. The Journal of organic chemistry 86 (13) (2021)
Totan Mondal, Sason S Shaik, Hilkka I Kenttämaa, Thijs Stuyver
Modulating the radical reactivity of phenyl radicals with the help of distonic charges: it is all about electrostatic catalysis. Chemical science 12 (13) (2021)
Thijs Stuyver, Rajeev Ramanan, Dibyendu Mallick, Sason S Shaik
Oriented (Local) Electric Fields Drive the Millionfold Enhancement of the H-Abstraction Catalysis Observed for Synthetic Metalloenzyme Analogues. Angewandte Chemie (International ed. in English) 59 (20) (2020)
Jyothish Joy, Thijs Stuyver, Sason S Shaik
Oriented External Electric Fields and Ionic Additives Elicit Catalysis and Mechanistic Crossover in Oxidative Addition Reactions. Journal of the American Chemical Society 142 (8) (2020)
Jyothish Joy, David Danovich, Martin Kaupp, Sason S Shaik
Covalent vs Charge-Shift Nature of the Metal-Metal Bond in Transition Metal Complexes: A Unified Understanding. Journal of the American Chemical Society 142 (28) (2020)
Thijs Stuyver, Frank de Proft, Paul Geerlings, Sason S Shaik
How Do Local Reactivity Descriptors Shape the Potential Energy Surface Associated with Chemical Reactions? The Valence Bond Delocalization Perspective. Journal of the American Chemical Society 142 (22) (2020)
Kshatresh Dutta Dubey, Thijs Stuyver, Surajit Kalita, Sason S Shaik
Solvent Organization and Rate Regulation of a Menshutkin Reaction by Oriented External Electric Fields are Revealed by Combined MD and QM/MM Calculations. Journal of the American Chemical Society 142 (22) (2020)
Sason S Shaik, David Danovich, Jyothish Joy, Zhanfeng Wang, Thijs Stuyver
Electric-Field Mediated Chemistry: Uncovering and Exploiting the Potential of (Oriented) Electric Fields to Exert Chemical Catalysis and Reaction Control. Journal of the American Chemical Society 142 (29) (2020)
Thijs Stuyver, Sason S Shaik
Unifying Conceptual Density Functional and Valence Bond Theory: The Hardness-Softness Conundrum Associated with Protonation Reactions and Uncovering Complementary Reactivity Modes. Journal of the American Chemical Society 142 (47) (2020)
Hao Su, Binju Wang, Sason S Shaik
Quantum-Mechanical/Molecular-Mechanical Studies of CYP11A1-Catalyzed Biosynthesis of Pregnenolone from Cholesterol Reveal a C-C Bond Cleavage Reaction That Occurs by a Compound I-Mediated Electron Transfer. Journal of the American Chemical Society 141 (51) (2019)
Chao Wang, David Danovich, Hui Chen, Sason S Shaik
Oriented External Electric Fields: Tweezers and Catalysts for Reactivity in Halogen-Bond Complexes. Journal of the American Chemical Society 141 (17) (2019)
Thijs Stuyver, David Danovich, Sason S Shaik
Captodative Substitution Enhances the Diradical Character of Compounds, Reduces Aromaticity, and Controls Single-Molecule Conductivity Patterns: A Valence Bond Study. The journal of physical chemistry. A 123 (32) (2019)
Binju Wang, Zexing Cao, Carme Rovira, Jinshuai Song, Sason S Shaik
Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD Simulations. Journal of the American Chemical Society 141 (23) (2019)
Thijs Stuyver, David Danovich, Frank De Proft, Sason S Shaik
Electrophilic Aromatic Substitution Reactions: Mechanistic Landscape, Electrostatic and Electric-Field Control of Reaction Rates, and Mechanistic Crossovers. Journal of the American Chemical Society 141 (24) (2019)
Sason S Shaik, David Danovich, John Morrison Galbraith, Benoît Braïda, Wei Wu, Philippe C Hiberty
Charge-Shift Bonding: A New and Unique Form of Bonding. Angewandte Chemie (International ed. in English) 59 (3) (2019)
Thijs Stuyver, David Danovich, Sason S Shaik
Insights into the Trends in the Acidity Strength of Organic and Inorganic Compounds: A Valence-Bond Perspective. The journal of physical chemistry. A 123 (9) (2019)
Junjing Gu, Wei Wu, Thijs Stuyver, David Danovich, Roald Hoffmann, Yuta Tsuji, Sason S Shaik
Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance? Journal of the American Chemical Society 141 (14) (2019)
Thijs Stuyver, Jing Huang, Dibyendu Mallick, David Danovich, Sason S Shaik
TITAN: A Code for Modeling and Generating Electric Fields-Features and Applications to Enzymatic Reactivity. Journal of computational chemistry 41 (1) (2019)
Sason S Shaik, Eduard Cremades, Santiago Álvarez
The Periodic-Table-A Universal Icon: Its Birth 150 Years Ago, and Its Popularization Through Literature Art and Music. Angewandte Chemie (International ed. in English) 58 (38) (2019)
Kshatresh Dutta Dubey, Sason S Shaik
Cytochrome P450-The Wonderful Nanomachine Revealed through Dynamic Simulations of the Catalytic Cycle. Accounts of chemical research 52 (2) (2019)
Caiyun Geng, Thomas Weiske, Jilai Li, Sason S Shaik, Helmut Schwarz
Correction to "Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects". Journal of the American Chemical Society 141 (10) (2019)
Donald G Truhlar, Philippe C Hiberty, Sason S Shaik, Mark S Gordon, David Danovich
Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments. Angewandte Chemie (International ed. in English) 58 (36) (2019)
Zhanfeng Wang, David Danovich, Rajeev Ramanan, Sason S Shaik
Oriented-External Electric Fields Create Absolute Enantioselectivity in Diels-Alder Reactions: Importance of the Molecular Dipole Moment. Journal of the American Chemical Society 140 (41) (2018)
Kshatresh Dutta Dubey, Sason S Shaik
Choreography of the Reductase and P450BM3 Domains Toward Electron Transfer Is Instigated by the Substrate. Journal of the American Chemical Society 140 (2) (2018)
Changwei Wang, David Danovich, Sason S Shaik, Wei Wu, Yirong Mo
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions. Journal of computational chemistry 40 (9) (2018)
Debasish Mandal, Dibyendu Mallick, Sason S Shaik
Kinetic Isotope Effect Determination Probes the Spin of the Transition State, Its Stereochemistry, and Its Ligand Sphere in Hydrogen Abstraction Reactions of Oxoiron(IV) Complexes. Accounts of chemical research 51 (1) (2018)
Caiyun Geng, Thomas Weiske, Jilai Li, Sason S Shaik, Helmut Schwarz
Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects. Journal of the American Chemical Society 141 (1) (2018)
David Danovich, Cina Foroutan-Nejad, Philippe C Hiberty, Sason S Shaik
Nature of the Three-Electron Bond. The journal of physical chemistry. A 122 (7) (2018)
Rajeev Ramanan, David Danovich, Debasish Mandal, Sason S Shaik
Catalysis of Methyl Transfer Reactions by Oriented External Electric Fields: Are Gold-Thiolate Linkers Innocent? Journal of the American Chemical Society 140 (12) (2018)
Binju Wang, Sason S Shaik
The Nickel-Pincer Complex in Lactate Racemase Is an Electron Relay and Sink that acts through Proton-Coupled Electron Transfer. Angewandte Chemie (International ed. in English) 56 (34) (2017)
Jennifer O Bigelow, Jason England, Johannes E M N Klein, Erik R Farquhar, Jonathan R Frisch, Marlène Martinho, Debasish Mandal, Eckard Münck, Sason S Shaik, Lawrence Que
Oxoiron(IV) Tetramethylcyclam Complexes with Axial Carboxylate Ligands: Effect of Tethering the Carboxylate on Reactivity. Inorganic chemistry 56 (6) (2017)
Na Young Lee, Debasish Mandal, Seong Hee Bae, Mi Sook Seo, Yong-Min Lee, Sason S Shaik, Kyung-Bin Cho, Wonwoo Nam
Structure and spin state of nonheme FeIVO complexes depending on temperature: predictive insights from DFT calculations and experiments. Chemical science 8 (8) (2017)
Johannes E M N Klein, Debasish Mandal, Wei-Min Ching, Dibyendu Mallick, Lawrence Que, Sason S Shaik
Privileged Role of Thiolate as the Axial Ligand in Hydrogen Atom Transfer Reactions by Oxoiron(IV) Complexes in Shaping the Potential Energy Surface and Inducing Significant H-Atom Tunneling. Journal of the American Chemical Society 139 (51) (2017)
Dibyendu Mallick, Sason S Shaik
Kinetic Isotope Effect Probes the Reactive Spin State, As Well As the Geometric Feature and Constitution of the Transition State during H-Abstraction by Heme Compound II Complexes. Journal of the American Chemical Society 139 (33) (2017)
Junjing Gu, Wei Wu, David Danovich, Roald Hoffmann, Yuta Tsuji, Sason S Shaik
Valence Bond Theory Reveals Hidden Delocalized Diradical Character of Polyenes. Journal of the American Chemical Society 139 (27) (2017)
Changwei Wang, David Danovich, Sason S Shaik, Yirong Mo
Halogen Bonds in Novel Polyhalogen Monoanions. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (36) (2017)
Changwei Wang, Yuzhuang Fu, Lina Zhang, David Danovich, Sason S Shaik, Yirong Mo
Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature? Journal of computational chemistry 39 (9) (2017)
Helmut Schwarz, Sason S Shaik, Jilai Li
Electronic Effects on Room-Temperature, Gas-Phase C-H Bond Activations by Cluster Oxides and Metal Carbides: The Methane Challenge. Journal of the American Chemical Society 139 (48) (2017)
Caiyun Geng, Jilai Li, Thomas Weiske, Maria Schlangen, Sason S Shaik, Helmut Schwarz
Electrostatic and Charge-Induced Methane Activation by a Concerted Double C-H Bond Insertion. Journal of the American Chemical Society 139 (4) (2017)
Changwei Wang, David Danovich, Sason S Shaik, Yirong Mo
A Unified Theory for the Blue- and Red-Shifting Phenomena in Hydrogen and Halogen Bonds. Journal of chemical theory and computation 13 (4) (2017)
Kshatresh Dutta Dubey, Binju Wang, Manu Vajpai, Sason S Shaik
MD simulations and QM/MM calculations show that single-site mutations of cytochrome P450BM3 alter the active site's complexity and the chemoselectivity of oxidation without changing the active species. Chemical science 8 (8) (2017)
Lei Yue, Jilai Li, Shaodong Zhou, Xiaoyan Sun, Maria Schlangen, Sason S Shaik, Helmut Schwarz
Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Activation of Methane. Angewandte Chemie (International ed. in English) 56 (34) (2017)
Sason S Shaik, David Danovich, Benoit Braida, Philippe C Hiberty
A Response to a Comment by G. Frenking and M. Hermann on: "The Quadruple Bonding in C2 Reproduces the Properties of the Molecule". Chemistry (Weinheim an der Bergstrasse, Germany) 22 (52) (2016)

Sason S Shaik.css-eqlu8i{font-size:small;padding-left:4px;} (Sason Shaik)

Publication Activity (10 Years)

Top Topics

Top Venues

Sason S Shaik (Sason Shaik)