Molecular Engineering of Triphenylamine Based Aggregation Enhanced Emissive Fluorophore: Structure-Dependent Mechanochromism and Self-Reversible Fluorescence Switching
Hariharan, Palamarneri Sivaraman, Prasad, Viki Kumar, Nandi, Surajit, Anoop, Anakuthil, Moon, Dohyun, Anthony, Savarimuthu Philip
Published in Crystal growth & design (04.01.2017)
Published in Crystal growth & design (04.01.2017)
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Journal Article
PEPCONF, a diverse data set of peptide conformational energies
Prasad, Viki Kumar, Otero-de-la-Roza, Alberto, DiLabio, Gino A
Published in Scientific data (22.01.2019)
Published in Scientific data (22.01.2019)
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Journal Article
BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds
Prasad, Viki Kumar, Khalilian, M Hossein, Otero-de-la-Roza, Alberto, DiLabio, Gino A
Published in Scientific data (23.11.2021)
Published in Scientific data (23.11.2021)
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Journal Article
BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials
Prasad, Viki Kumar, Pei, Zhipeng, Edelmann, Simon, Otero-de-la-Roza, Alberto, DiLabio, Gino A
Published in Journal of chemical theory and computation (11.01.2022)
Published in Journal of chemical theory and computation (11.01.2022)
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Journal Article
Applications of noisy quantum computing and quantum error mitigation to "adamantaneland": a benchmarking study for quantum chemistry
Prasad, Viki Kumar, Cheng, Freeman, Fekl, Ulrich, Jacobsen, Hans-Arno
Published in Physical chemistry chemical physics : PCCP (31.01.2024)
Published in Physical chemistry chemical physics : PCCP (31.01.2024)
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Journal Article
Heteroatom-vacancy centres in molecular nanodiamonds: A computational study of organic molecules possessing triplet ground states through σ-overlap
Macarios, Colette Maya, Pittner, Jiri, Prasad, Viki Kumar, Fekl, Ulrich Werner
Published in Physical chemistry chemical physics : PCCP (2024)
Published in Physical chemistry chemical physics : PCCP (2024)
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Journal Article
Fast and Accurate Quantum Mechanical Modeling of Large Molecular Systems Using Small Basis Set Hartree–Fock Methods Corrected with Atom-Centered Potentials
Prasad, Viki Kumar, Otero-de-la-Roza, Alberto, DiLabio, Gino A
Published in Journal of chemical theory and computation (12.04.2022)
Published in Journal of chemical theory and computation (12.04.2022)
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Journal Article
Atom-Centered Potentials with Dispersion-Corrected Minimal-Basis-Set Hartree–Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems
Prasad, Viki Kumar, Otero-de-la-Roza, Alberto, DiLabio, Gino A
Published in Journal of chemical theory and computation (13.02.2018)
Published in Journal of chemical theory and computation (13.02.2018)
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Journal Article
Correction to “BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials”
Prasad, Viki Kumar, Pei, Zhipeng, Edelmann, Simon, Otero-de-la-Roza, Alberto, DiLabio, Gino A.
Published in Journal of chemical theory and computation (14.06.2022)
Published in Journal of chemical theory and computation (14.06.2022)
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Journal Article
Hydrogen Atom Transfer (HAT) Processes Promoted by the Quinolinimide‑N‑oxyl Radical. A Kinetic and Theoretical Study
DiLabio, Gino A, Franchi, Paola, Lanzalunga, Osvaldo, Lapi, Andrea, Lucarini, Fiorella, Lucarini, Marco, Mazzonna, Marco, Prasad, Viki Kumar, Ticconi, Barbara
Published in Journal of organic chemistry (16.06.2017)
Published in Journal of organic chemistry (16.06.2017)
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Journal Article
Performance of small basis set Hartree–Fock methods for modeling non-covalent interactions
Prasad, Viki Kumar, Otero-de-la-Roza, Alberto, DiLabio, Gino A
Published in Electronic Structure (01.09.2021)
Published in Electronic Structure (01.09.2021)
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Journal Article
Quantitative and qualitative analysis of nitrogen species in carbon at the ppm level
Yoshii, Takeharu, Nishikawa, Ginga, Prasad, Viki Kumar, Shimizu, Shunsuke, Kawaguchi, Ryo, Tang, Rui, Chida, Koki, Sato, Nobuhiro, Sakamoto, Ryota, Takatani, Kouhei, Moreno-Rodríguez, Daniel, Škorňa, Peter, Scholtzová, Eva, Szilagyi, Robert Karoly, Nishihara, Hirotomo
Published in Chem (08.08.2024)
Published in Chem (08.08.2024)
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Journal Article
Leptospirosis Presenting with Rapidly Progressing Acute Renal Failure and Conjugated Hyperbilirubinemia: A Case Report
Pothuri, Pallavi, Ahuja, Keerat, Kumar, Viki, Lal, Sham, Tumarinson, Taisiya, Mahmood, Khalid
Published in The American journal of case reports (10.08.2016)
Published in The American journal of case reports (10.08.2016)
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Journal Article
Comorbid Human Immunodeficiency Virus (HIV) and Muscle-Specific Kinase (MuSK) Myasthenia Gravis: A Case Report and Literature Review
Sherpa, Michael, Metai, Ravi K, Kumar, Viki, Hirachan, Tinu, Ahmed, Kawser U, Atkinson, Sharon J
Published in The American journal of case reports (20.04.2017)
Published in The American journal of case reports (20.04.2017)
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Journal Article
Renin angiotensin system modulates mTOR pathway through AT2R in HIVAN
Rai, Partab, Lederman, Rivka, Haque, Shabirul, Rehman, Shabina, Kumar, Viki, Sataranatrajan, Kavithalakshmi, Malhotra, Ashwani, Kasinath, Balakuntalam S., Singhal, Pravin C.
Published in Experimental and molecular pathology (01.06.2014)
Published in Experimental and molecular pathology (01.06.2014)
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