H. K. Srivastava

发表

Hydro Electric Power Development in Uttar Pradesh

P. S. Nigam, B. L. Jatana, H. K. Srivastava, 1987 .

Performance Based Comparison Study of RSA and Elliptic Curve Cryptography

H. K. Srivastava, S. Gupta, Rounak Sinha, 2013 .

Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation

H. K. Srivastava, Kanu Das, Eileen Yasmin, 2020 .

Peptide-like and small-molecule inhibitors against Covid-19

Hemant Kumar Srivastava, H. K. Srivastava, U. Murty, 2020, Journal of biomolecular structure & dynamics.

QSTR Study of Small Organic Molecules against Tetrahymena pyriformis

H. K. Srivastava, F. Pasha, A. Srivastava, 2005 .

Stereoelectronic effect of curved aromatic structures: favoring the unexpected endo conformation of benzylic-substituted sumanene.

H. K. Srivastava, G. N. Sastry, H. Sakurai, 2013, Angewandte Chemie.

QSAR study of estrogens with the help of PM3‐based descriptors

H. K. Srivastava, F. Pasha, P. P. Singh, 2005 .

Metal-Free Sequential C(sp2)-H/OH and C(sp3)-H Aminations of Nitrosoarenes and N-Heterocycles to Ring-Fused Imidazoles.

H. K. Srivastava, C. Jana, Subhrangsu Roy, 2017, Organic letters.

Visible-Light-Mediated Ir(III)-Catalyzed Concomitant C3 Oxidation and C2 Amination of Indoles.

H. K. Srivastava, Ritush Kumar, B. Patel, 2019, Organic letters.

Stereospecific Assembly of Fused Imidazolidines via Tandem Ring Opening/Oxidative Amination of Aziridines with Cyclic Secondary Amines Using Photoredox Catalysis.

H. K. Srivastava, V. Vasantha, T. Punniyamurthy, 2019, Organic letters.

Influence of the Local Chemical Environment in the Formation of Multicomponent Crystals of L-Tryptophan with N-Heterocyclic Carboxylic Acids: Unusual Formation of Double Zwitterions

H. K. Srivastava, Babulal Das, 2017 .

Comparison of amine-induced cyclization of 6-chloro-1-hexynylphosphonate and isobutyl 7-chlorohept-2-ynoate

H. K. Srivastava, M. Srebnik, A. Azab, 2009 .

Exceptional control on physical properties of a polymeric material through alcoholic solvent-mediated environment-friendly Michael addition reaction

H. K. Srivastava, U. Manna, A. Rather, 2017 .

Calculation of transition dipole moment in fluorescent proteins--towards efficient energy transfer.

H. K. Srivastava, R. Baer, M. Merkx, 2012, Physical chemistry chemical physics : PCCP.

pH-Regulated anion transport activities of bis(iminourea) derivatives across the cell and vesicle membrane.

H. K. Srivastava, D. Manna, Sachin Kumar, 2019, Organic & biomolecular chemistry.

Modeling antimalarial and antihuman African trypanosomiasis compounds: a ligand- and structure-based approaches

H. K. Srivastava, S. pant, Jyoti Gahtori, 2019, Molecular Diversity.

Solvent-Free N-Alkylation and Dehydrogenative Coupling Catalyzed by a Highly Active Pincer-Nickel Complex

H. K. Srivastava, Kanu Das, Babulal Das, 2020 .

Stereospecific Al‐Catalysed Tandem C−N / C−Se Bond Formation of Isoselenocyanates with Aziridines: Synthesis and DFT Study

H. K. Srivastava, T. Punniyamurthy, S. Kumar, 2018, Advanced Synthesis & Catalysis.

Energy decomposition analysis of cation–π, metal ion–lone pair, hydrogen bonded, charge‐assisted hydrogen bonded, and π–π interactions

G. Narahari Sastry, Hemant Kumar Srivastava, Bhaskar Sharma, 2015, J. Comput. Chem..

Synthesis of β- and γ-lactam fused dihydropyrazinones from Ugi adducts via a sequential ring construction strategy.

H. K. Srivastava, S. Tripathi, R. Kant, 2020, Chemical communications.

Quinazolinone linked pyrrolo[2,1-c][1,4]benzodiazepine (PBD) conjugates: Design, synthesis and biological evaluation as potential anticancer agents.

Hemant Kumar Srivastava, Farheen Sultana, Subrata Sen, 2010, Bioorganic & medicinal chemistry.

Phosphine-Free Well-Defined Mn(I) Complex-Catalyzed Synthesis of Amine, Imine, and 2,3-Dihydro-1H-perimidine via Hydrogen Autotransfer or Acceptorless Dehydrogenative Coupling of Amine and Alcohol

H. K. Srivastava, A. Mondal, Dipankar Srimani, 2019, Organometallics.

Geometry-Driven Iminosemiquinone Radical to Cu(II) Electron Transfer and Stabilization of an Elusive Five-Coordinate Cu(I) Complex: Synthesis, Characterization, and Reactivity with KO2.

G. C. Paul, H. K. Srivastava, Suvendu Maity, 2018, Inorganic chemistry.

Secondary amine salt catalyzed controlled activation of 2-deoxy sugar lactols towards alpha-selective dehydrative glycosylation.

H. K. Srivastava, P. K. Kancharla, Titli Ghosh, 2018, Organic & biomolecular chemistry.

N-Alkylation of Amines Catalyzed by a Ruthenium-Pincer Complex in the Presence of in situ Generated Sodium Alkoxide

H. K. Srivastava, Kanu Das, Akshai Kumar, 2019, European Journal of Organic Chemistry.

Comparison of Computational Methods to Model DNA Minor Groove Binders

G. Narahari Sastry, Devesh Kumar, Hemant Kumar Srivastava, 2011, J. Chem. Inf. Model..

Analogue-based approaches in anti-cancer compound modelling: the relevance of QSAR models

Mohammed H Bohari, Hemant Kumar Srivastava, H. K. Srivastava, 2011, Organic and medicinal chemistry letters.

Iron-Catalyzed Arene C–H Amidation Using Functionalized Hydroxyl Amines at Room Temperature

H. K. Srivastava, Sandip Kumar Tiwari, Ritesh Singh, 2018, ACS Catalysis.

Synthesis of bis-1,2,3-triazolo-bridged unsymmetrical pyrrolobenzodiazepine trimers via ‘click’ chemistry and their DNA-binding studies

Ahmed Kamal, G. Narahari Sastry, Hemant Kumar Srivastava, 2010 .

Atomic softness-based QSAR study of testosterone

F. A. Pasha, Hemant Kumar Srivastava, H. K. Srivastava, 2005 .

Semiempirical QSAR study and ligand receptor interaction of estrogens

H. K. Srivastava, F. Pasha, P. Singh, 2005, Molecular Diversity.

DFT Based Atomic Softness and Its Application in Site Selectivity

H. K. Srivastava, F. Pasha, P. Singh, 2003 .

Selective Catalytic Synthesis of α-Alkylated Ketones and β-Disubstituted Ketones via Acceptorless Dehydrogenative Cross-Coupling of Alcohols.

H. K. Srivastava, Sekhar Nandi, Animesh Das, 2021, Organic letters.

Efficient Pincer‐Ruthenium Catalysts for Kharasch Addition of Carbon Tetrachloride to Styrene

H. K. Srivastava, Arun Kumar, Kanu Das, 2019, Advanced Synthesis & Catalysis.

Adsorption of Various Monoterpenoids on the Surface of Graphene and Nitrogen-Doped Graphene: A DFT Based Study

H. K. Srivastava, H. Deka, M. Saikia, 2017 .

Alkali metal-ion assisted Michael addition reaction in controlled tailoring of topography in a superhydrophobic polymeric monolith

H. K. Srivastava, Bibhas K. Bhunia, B. Mandal, 2018 .

Efficient estimation of MMGBSA-based BEs for DNA and aromatic furan amidino derivatives

G Narahari Sastry, Hemant Kumar Srivastava, H. K. Srivastava, 2013, Journal of biomolecular structure & dynamics.

Benchmarking of different molecular docking methods for protein-peptide docking

Gajendra P. S. Raghava, Sandeep Singh, Piyush Agrawal, 2019, BMC Bioinformatics.

Viability of clathrate hydrates as CO2 capturing agents: a theoretical study.

H. K. Srivastava, G. N. Sastry, G. Sastry, 2011, The journal of physical chemistry. A.

Modeling antimalarial and antihuman African trypanosomiasis compounds: a ligand- and structure-based approaches

H. K. Srivastava, S. pant, Jyoti Gahtori, 2019, Molecular diversity.

Computational techniques for designing new lead molecules in the process of drug discovery

Suresh Kumar, Hemant Kumar Srivastava, Samiyara Begum, 2017 .

Evaluation of protein-ligand docking methods on peptide-ligand complexes for docking small ligands to peptides

Sandeep Singh, Piyush Agrawal, Hemant Kumar Srivastava, 2017, bioRxiv.

Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches

G. Narahari Sastry, Hemant Kumar Srivastava, H. K. Srivastava, 2012, J. Chem. Inf. Model..

Novel application of softness parameter for regioselectivity and reaction mechanism

H. K. Srivastava, F. Pasha, P. Singh, 2004 .

Modeling anti-HIV compounds: the role of analogue-based approaches.

Mohammed H Bohari, G Narahari Sastry, Hemant Kumar Srivastava, 2012, Current computer-aided drug design.

Novel applications of atomic softness and QSAR study of testosterone derivatives

H. K. Srivastava, S. Mishra, F. Pasha, 2009, Medicinal Chemistry Research.

One- and Two-Photon Uncaging: Carbazole Fused o-Hydroxycinnamate Platform for Dual Release of Alcohols (Same or Different) with Real-Time Monitoring.

H. K. Srivastava, P. Datta, S. Bhattacharya, 2018, Organic letters.

Trisulfides over disulfides: highly selective synthetic strategies, anti-proliferative activities and sustained H2S release profiles.

H. K. Srivastava, A. Sufian, K. P. Bhabak, 2019, Chemical communications.

Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case study

Tamar Ansbacher, Hemant Kumar Srivastava, Jan M. L. Martin, 2010, J. Comput. Chem..

Electrical Power Generation from the Contrasting Interfacial Activities of Boron- and Nitrogen-Doped Reduced Graphene Oxide Membranes

H. K. Srivastava, Kalyan Raidongia, Suresh Kumar, 2019, ACS Applied Nano Materials.

Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts.

H. K. Srivastava, Kanu Das, Akshai Kumar, 2020, Chemical communications.

Structure and stability of the sH binary hydrate cavity and host‐guest versus guest‐guest interactions therein: A DFT approach

H. K. Srivastava, P. Chattaraj, S. Mondal, 2023, J. Comput. Chem..

Analysis of Raman trace scattering intensities in alkanes with the theory of atoms in molecules

H. K. Srivastava, K. Gough, K. Belohorcová, 1993 .

Comparative QSAR study of phenol derivatives with the help of density functional theory.

H. K. Srivastava, F. Pasha, P. Singh, 2005, Bioorganic & medicinal chemistry.

Analogue and structure based approaches for modelling HIV-1 integrase inhibitors.

H. K. Srivastava, Pranjal Chandra, S. K. Rajouria, 2023, Journal of biomolecular structure & dynamics.

The efficacy of conceptual DFT descriptors and docking scores on the QSAR models of HIV protease inhibitors.

G Narahari Sastry, Hemant Kumar Srivastava, Chinmayee Choudhury, 2012, Medicinal chemistry (Shariqah (United Arab Emirates)).

Benchmarking of different molecular docking methods for protein-peptide docking

H. K. Srivastava, Harinder Singh, Gajendra P.S. Raghava, 2019, BMC Bioinformatics.

Artificially expanded genetic information systems (AEGISs) as potent inhibitors of the RNA-dependent RNA polymerase of the SARS-CoV-2

N. R. Jena, H. K. Srivastava, S. pant, 2021, Journal of biomolecular structure & dynamics.

tert-Butyl Nitrite Mediated Synthesis of 1,2,4-Oxadiazol-5(4 H)-ones from Terminal Aryl Alkenes.

H. K. Srivastava, A. Rakshit, B. Patel, 2019, Organic letters.