Search results: Sage Journals

Restricted accessResearch articleFirst published May 18, 2019

Quantum chemical and molecular docking studies on two potential hepatitis C virus inhibitors

Gargi Tiwari, Ambrish Kumar Srivastava, Ratnesh Kumar [...]

Main Group Chemistry

Restricted accessResearch articleFirst published April, 2018

Styrene butadiene rubber as a viscosity improver: Experimental investigations and quantum chemical studies

S Sabarinath, K Prabhakaran Nair, PK Rajendrakumar [...]

Proceedings of the Institution of Mechanical Engineers,Part J: Journal of Engineering Tribology

Free accessResearch articleFirst published February, 2019

Quantum chemical study of the mechanism of the palladium-catalysed C−H acetoxylation of benzene

Nazanin Beyzaie, Sayyed Faramarz Tayyari, Mohammad Vakili [...]

Progress in Reaction Kinetics and Mechanism

Restricted accessResearch articleFirst published August, 2003

A Quantum Chemical Study of the Protonation of Phenylphosphine and its Halogenated Derivatives

Pham-Cam Nam, Pascal Gerbaux, Minh Tho Nguyen

European Journal of Mass Spectrometry

Restricted accessResearch articleFirst published January, 2011

QSAR and quantum chemical studies on the inhibition potentials of some amino acids for the corrosion of mild steel in H 2 SO 4

Nnabuk O. Eddy, Udo J. Ibok, Benedict I. Ita

Journal of Computational Methods in Sciences and Engineering

Free accessResearch articleFirst published August, 1999

Quantum Chemical Studies on the Reactivity of Electron-Rich Heterocycles: Benzofuroxans

Guntram Rauhut, Frank Eckert

Science Progress

Restricted accessResearch articleFirst published 2026

Antibacterial evaluation,quantum chemical computation,and pharmacological studies of some arylidenemalononitrile and ethyl 2-cyano-3-phenylacrylate derivatives: In vitro and in silico approach

Emranul Kabir, Md. Mosharef Hossain Bhuiyan, M. R. O. Khan Noyon [...]

Main Group Chemistry

Restricted accessResearch articleFirst published June, 2005

Adsorption kinetics of benzyl triphenyl phosphonium chloride on mild steel in 1N sulphuric acid

Kalpana Bhrara, Gurmeet Singh

Surface Engineering

Restricted accessResearch articleFirst published December, 1996

Quantum Chemical Study of the Interaction of Water Molecules with a Partially Oxidized Graphite Surface

E.V. Aksenenko, Yu.I. Tarasevich

Adsorption Science & Technology

Restricted accessResearch articleFirst published

A quantum chemical study of YF n nano clusters – An investigation of superhalogen properties

Anoop Kumar Pandey, Ambrish Kumar Srivastava, Apoorva Dwivedi

Main Group Chemistry

Restricted accessResearch articleFirst published May 18, 2019

Quantum chemical and molecular docking studies on two potential hepatitis C virus inhibitors

Gargi Tiwari, Ambrish Kumar Srivastava, Ratnesh Kumar [...]

Main Group Chemistry

Restricted accessResearch articleFirst published April, 2018

Styrene butadiene rubber as a viscosity improver: Experimental investigations and quantum chemical studies

S Sabarinath, K Prabhakaran Nair, PK Rajendrakumar [...]

Proceedings of the Institution of Mechanical Engineers,Part J: Journal of Engineering Tribology

Free accessResearch articleFirst published February, 2019

Quantum chemical study of the mechanism of the palladium-catalysed C−H acetoxylation of benzene

Nazanin Beyzaie, Sayyed Faramarz Tayyari, Mohammad Vakili [...]

Progress in Reaction Kinetics and Mechanism

Restricted accessResearch articleFirst published August, 2003

A Quantum Chemical Study of the Protonation of Phenylphosphine and its Halogenated Derivatives

Pham-Cam Nam, Pascal Gerbaux, Minh Tho Nguyen

European Journal of Mass Spectrometry

Restricted accessResearch articleFirst published January, 2011

QSAR and quantum chemical studies on the inhibition potentials of some amino acids for the corrosion of mild steel in H 2 SO 4

Nnabuk O. Eddy, Udo J. Ibok, Benedict I. Ita

Journal of Computational Methods in Sciences and Engineering

Free accessResearch articleFirst published August, 1999

Quantum Chemical Studies on the Reactivity of Electron-Rich Heterocycles: Benzofuroxans

Guntram Rauhut, Frank Eckert

Science Progress

Restricted accessResearch articleFirst published 2026

Antibacterial evaluation,quantum chemical computation,and pharmacological studies of some arylidenemalononitrile and ethyl 2-cyano-3-phenylacrylate derivatives: In vitro and in silico approach

Emranul Kabir, Md. Mosharef Hossain Bhuiyan, M. R. O. Khan Noyon [...]

Main Group Chemistry

Restricted accessResearch articleFirst published June, 2005

Adsorption kinetics of benzyl triphenyl phosphonium chloride on mild steel in 1N sulphuric acid

Kalpana Bhrara, Gurmeet Singh

Surface Engineering

Restricted accessResearch articleFirst published December, 1996

Quantum Chemical Study of the Interaction of Water Molecules with a Partially Oxidized Graphite Surface

E.V. Aksenenko, Yu.I. Tarasevich

Adsorption Science & Technology

Restricted accessResearch articleFirst published

A quantum chemical study of YF n nano clusters – An investigation of superhalogen properties

Anoop Kumar Pandey, Ambrish Kumar Srivastava, Apoorva Dwivedi

Main Group Chemistry