दीनदयाल उपाध्याय गोरखपुर विश्वविद्यालय
Deen Dayal Upadhyaya Gorakhpur University
(Accredited A++ by NAAC)
Dr. Ambrish Kumar Srivastava
Ph.D., Assistant Professor
Department of Physics
Chemical Physics, Atomic Clusters, Superatoms
| S.No. | Employer | Designation | From | To |
|---|---|---|---|---|
| 1 | Deen Dayal Upadhyaya Gorakhpur University | Assistant Professor | 2018 | date |
| 2 | Veer Kunwar Singh University, Ara | Assistant Professor | 2017 | 2018 |
| 3 | Deen Dayal Upadhyaya Gorakhpur University | National Postdoctoral Fellow | 2017 | 2017 |
| S.No. | Title | Journal | Volume | Year | Contribution |
|---|---|---|---|---|---|
| 1 | BO2 substituted novel alkyl biphenyl liquid crystalline series: dependence of geometrical and electronic properties on the alkyl chain length | Theoretical Chemistry Accounts | 142 | 2023 | Corresponding Author |
| 2 | Molecular Dynamics and Quantum Chemical Studies on Piperine, a Naturally Occurring Alkaloid | Polycyclic Aromatic Compounds | 0 | 2023 | First Author |
| 3 | Influence of electric field on the electro-optical and electronic properties of 4-n-alkoxy-4-cyanobiphenyl liquid crystal series | Pramana | 97 | 2023 | Co-author |
| 4 | Recent progress on the design and applications of superhalogens | Chemical Communications | 59 | 2023 | Sole Author |
| 5 | A Simple Strategy to Design Polycyclic Superhalogens | The Journal of Physical Chemistry A | 127 | 2023 | Sole Author |
| 6 | Boronyl-Based Polycyclic Superhalogens | The Journal of Physical Chemistry A | 127 | 2023 | Sole Author |
| 7 | HCF4-n(SO3)n (n=1-4): Designing a new series of organic superacids | Modern Physics Letters B | 0 | 2023 | Corresponding Author |
| 8 | Docking and MM study of non-structural protein (NS5) of Japanese Encephalitis Virus (JEV) with some derivatives of adenosyl | Frontiers in Chemistry | 11 | 2023 | Co-author |
| 9 | Role of central core and methyl substitutions in XH4-x(CH3)x (X= N, P, As; x= 0-4) superalkalis: an ab initio study | Structural Chemistry | 34 | 2023 | Corresponding Author |
| 10 | On the surface interaction of C60 with superalkalis: a computational approach | Molecular Physics | 120 | 2022 | Sole Author |
| 11 | X(CH3)k+1+ superalkali cations (X = F, O and N) with methyl ligands | Chemical Physics Letters | 790 | 2022 | First Author |
| 12 | Electronic structures and properties of small (BCN)x (x =1–5) clusters and (BCN)12 nanotube | Pramana | 96 | 2022 | Corresponding Author |
| 13 | Spectroscopic and Structural Investigations on Novel 6-Amino-3-Phenyl-4-(Pyridin-4-yl)-2,4-Dihydropyrano[2,3-c] Pyrazole-5-Carbonitrile by FT-IR, NMR, Docking, and DFT Methods | Polycyclic Aromatic Compounds | 42 | 2022 | Co-author |
| 14 | M(BO)k +1– Anions: Novel Superhalogens Based on Boronyl Ligands | The Journal of Physical Chemistry A | 126 | 2022 | Sole Author |
| 15 | Superalkalis for the Activation of Carbon Dioxide: A Review | Frontiers in Physics | 10 | 2022 | Corresponding Author |
| 16 | The role of herbal plants in the inhibition of SARS-CoV-2 main protease: A computational approach | Journal of the Indian Chemical Society | 99 | 2022 | First Author |
| 17 | CF4-n(SO3)n (n = 1-4): a new series of organic superhalogens | Molecular Physics | 120 | 2022 | Corresponding Author |
| 18 | Editorial: Superhalogens & Superalkalis: Exploration of structure, properties and applications | Frontiers in Chemistry | 10 | 2022 | First Author |
| 19 | Structures and Electronic Properties of Small AlnSen (n = 1–5) Clusters | Proceedings of National Academy of Science, India, Section A Physical Sciences | 91 | 2021 | Co-author |
| 20 | Structural and electronic properties of 2D activated carbon sheet | Carbon Letters | 31 | 2021 | Co-author |
| 21 | Ab initio investigations on the interaction of CO2 and non-metallic superalkalis: structure, stability and electronic properties | Molecular Physics | 119 | 2021 | Co-author |
| 22 | External electric field modulated second-order nonlinear optical response and visible transparency in hexalithiobenzene | Journal of Molecular Modeling | 27 | 2021 | Sole Author |
| 23 | DFT and QTAIM studies on the reduction of carbon monoxide by superalkalis | Journal of Molecular Graphics and Modelling | 102 | 2021 | Sole Author |
| 24 | Ionization of NO by superhalogens: DFT and QTAIM approaches | Main Group Chemistry | 20 | 2021 | Sole Author |
| 25 | 1-Alkyl-3-methylimidazolium belong to superalkalis | Chemical Physics Letters | 778 | 2021 | Sole Author |
| 26 | Superhalogens as Building Blocks of Ionic Liquids | The Journal of Physical Chemistry A | 125 | 2021 | First Author |
| 27 | Lithiated Graphene Quantum Dot and its Nonlinear Optical Properties Modulated by a Single Alkali Atom: A Theoretical Perspective | Inorganic Chemistry | 60 | 2021 | Sole Author |
| 28 | Editorial: Atomic Clusters: Theory & Experiments | Frontiers in Chemistry | 9 | 2021 | First Author |
| 29 | Prediction of Novel Liquid Crystalline Molecule Based on BO2 Superhalogen | Journal of Molecular Liquids | 344 | 2021 | Sole Author |
| 30 | CxH4x+1+ (x = 1–5): a unique series of organic superalkali cations | Molecular Physics | 118 | 2020 | Sole Author |
| 31 | MC6Li6 (M = Li, Na and K): a new series of aromatic superalkalis | Molecular Physics | 118 | 2020 | Sole Author |
| 32 | Enormously high second-order nonlinear optical response of single alkali atom decorated hexalithiobenzene | Journal of Molecular Liquids | 298 | 2020 | Sole Author |
| 33 | FT-IR, UV–visible, and NMR Spectral Analyses, Molecular Structure, and Properties of Nevadensin Revealed by Density Functional Theory and Molecular Docking | Polycyclic Aromatic Compounds | 40 | 2020 | Co-author |
| 34 | Superalkali behavior of ammonium (NH4+) and hydronium (OH3+) cations: a computational analysis | SN Applied Sciences | 2 | 2020 | First Author |
| 35 | Ab initio investigations on bimetallic mononuclear superalkali clusters | Chemical Physics Letters | 759 | 2020 | Sole Author |
| 36 | Structural, spectroscopic analysis of two hexahydroacridine-1,8(2H,5H)-dione derivatives and identification of drug like properties: Experimental and computational study | Materials Today: Proceedings | 29 | 2020 | Co-author |
| 37 | Computational study on CH3-functionalized Tetraphenyl-1,4-phenylenediamine: A hole-transporting material for OLED devices | Materials Today: Proceedings | 29 | 2020 | Co-author |
| 38 | Computational study on 8-quinolinolatoalkali, an electron transporting material for OLED devices | AIP Conference Proceedings | 2220 | 2020 | Co-author |
| 39 | Structures and electronic properties of TiFn (n = 1-5) species | AIP Conference Proceedings | 2220 | 2020 | First Author |
| S.No. | Name of Award | Agency | Year |
|---|---|---|---|
| 1 | Associate | Indian Academy of Sciences, Bengaluru | 2024 |
| 2 | NASI-Young Scientists Platinum Jubilee Award 2022 | The National Academy of Sciences, India | 2023 |
| 3 | Guest Editor | Chemistry Open (Wiley) | 2023 |
| 4 | Guest Associate Editor | Frontiers in Chemistry | 2023 |
| 5 | Top 2% World Scientists in Single Year Contribution | Stanford University Researchers | 2023 |
| 6 | Associate Editor | Frontiers in Physics | 2022 |
| 7 | Guest Associate Editor | Frontiers in Chemistry | 2022 |
| 8 | Best Teacher & Researcher Recognition | Deen Dayal Upadhyaya Gorakhpur University | 2022 |
| 9 | Guest Associate Editor | Frontiers in Chemistry | 2021 |
| 10 | Editorial Board Member | Current Chinese Science | 2021 |
| 11 | Best Teacher & Researcher Recognition | Deen Dayal Upadhyaya Gorakhpur University | 2021 |
| 12 | National Postdoctoral Fellowship | Science & Engineering Research Board (SERB), India | 2017 |
| 13 | Editorial Board Member | Journal of Computational Methods in Molecular Design | 2016 |
| 14 | Senior Research Fellowship | Council of Scientific & Industrial Research (CSIR), India | 2014 |
| 15 | Junior Research Fellowship (All India Rank 18) | Council of Scientific & Industrial Research (CSIR), India | 2011 |
| S.No. | Title | Publisher | ISBN | Year |
|---|---|---|---|---|
| 1 | Superhalogens and Superalkalis: Bonding, Reactivity, Dynamics and Applications | Taylor & Francis/CRC Press, United Kingdom | 9781032466231 | 2024 |
| 2 | Computational Studies: From Molecules to Materials | Taylor & Francis/CRC Press, United Kingdom | 9781003441328 | 2024 |
| 3 | DFT-Based Studies on Atomic Clusters | Bentham Science Publishers, Singapore | 9789815274059 | 2024 |
| 4 | Superhalogens: Properties and Applications | Springer Nature, Switzerland | 9783031375705 | 2023 |
| 5 | Superhalogens & Superalkalis: Exploration of Structure, Properties and Applications | Frontiers Media SA, Laussane | 9782832508930 | 2022 |
| 6 | A CRASH COURSE ON MATHEMATICAL PHYSICS | Notion Press, New Delhi | 9798885918398 | 2022 |
| 7 | A CRASH COURSE ON ELECTROMAGNETIC THEORY | Notion Press, New Delhi | 9798886296426 | 2022 |
| 8 | DFT Based Studies on Bioactive Molecules | Bentham Science Publishers, Singapore | 9789814998369 | 2021 |
| 9 | Atomic Clusters: Theory & Experiments | Frontiers Media SA, Laussane | 9782889719204 | 2021 |
| S.No. | Title | Sponsoring Agency | Year of Sanction | Budget (Lakh) |
Status |
|---|---|---|---|---|---|
| 1 | In Silico Investigations on the Hydrogen Storage by Superalkalis and Its Implications | Science & Engineering Research Board (SERB), India | 2023 | 21.70 | Ongoing |
| 2 | Superatoms as Building Blocks of Novel Materials for Various Applications: A Computational Approach | University Grants Commission (UGC), India | 2019 | 10.00 | Completed |
| 3 | Computational Exploration of Superatomic Clusters and Their Potential Applications in a Variety of Fields | Science & Engineering Research Board (SERB), India | 2017 | 10.70 | Completed |
| S.No. | Name | Contact Details Year of Enrollment |
Type of Scholar | Topic | Research Status |
|---|---|---|---|---|---|
| 1 | Harshita Srivastava | 8565856558 harshitasrivastav91@gmail.com Enrollment Year: 2019 |
Project Associate | Computational Studies on Novel Superalkali Clusters | Ongoing |
| 2 | Jitendra Kumar Tripathi | 9918977770 jeettri432@gmail.com Enrollment Year: 2019 |
Research Scholar | Exploration of New Superhalogen Species using First Principles Method | Ongoing |
| S.No. | Title of Chapter | Page Numbers | Title of Book | Publisher | ISBN | Year |
|---|---|---|---|---|---|---|
| 1 | Density Functional Theory‐Based Study on Some Natural Products | 551-560 | Electron Density: Concepts, Computation and DFT Applications | Wiley, USA | 9781394217625 | 2024 |
| 2 | Structures, reactivity, and properties of low ionization energy species doped fullerenes and their complexes with superhalogen | 173-183 | Atomic Clusters with Unusual Structure, Bonding and Reactivity | Elsevier, Netherlands | 9780128229439 | 2023 |
| 3 | Effect of Methyl Substitutions on the Ionization Energy of OH3−n(CH3)n+ | 235-240 | Recent Advances in Nanomaterials | Springer, Singapore | 9789819948772 | 2023 |