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Journal Articles

Correlation analysis of the vibrational spectra and the structure of β-D-glucopyranose nitrates obtained by the DFT B3LYP quantum chemical method

Raviya M. Shaikhullina

AIP Conf. Proc. 3183, 040004 (2024)

https://doi.org/10.1063/5.0225587

Published: November 2024

View articletitled, Correlation analysis of the vibrational spectra and the structure of β-D-glucopyranose nitrates obtained by the DFT B3LYP quantum chemical method

Journal Articles

Synthesis and characterization of samarium (III) hydroxide nanostructures

J. Anita Lett, Suresh Sagadevan, Shahla Imteyaz, Is Fatimah

AIP Conf. Proc. 3027, 050021 (2024)

https://doi.org/10.1063/5.0205305

Published: July 2024

View articletitled, Synthesis and characterization of samarium (III) hydroxide nanostructures

Journal Articles

Influence of anharmonic oscillator model for flows over a cylindrical body

Clément H. B. Civrais, Craig White, René Steijl

AIP Conf. Proc. 2996, 080008 (2024)

https://doi.org/10.1063/5.0187445

Published: February 2024

View articletitled, Influence of anharmonic oscillator model for flows over a cylindrical body

Journal Articles

Molecular geometry homo-lumo and charge analysis of 2-Chloro-4-pyridinecarbonitrile

G. Golding Sheeba, D. Usha, J. Benham, D. David Philip Daniel

AIP Conf. Proc. 2587, 140033 (2023)

https://doi.org/10.1063/5.0151384

Published: November 2023

View articletitled, Molecular geometry homo-lumo and charge analysis of 2-Chloro-4-pyridinecarbonitrile

Journal Articles

Chemical composition of mango pulp and the comparison of two vibrational spectra

Agnibha Das Majumdar, Uma Kamboj, Neha Munjal

AIP Conf. Proc. 2800, 020005 (2023)

https://doi.org/10.1063/5.0164349

Published: September 2023

View articletitled, Chemical composition of mango pulp and the comparison of two vibrational spectra

Journal Articles

Study of vibrational, hirshfeld surface, and DFT analysis on charge-transfer complex between pyrazinamide (PZA) and p-aminobenzoic acid (PABA)

Mohd Raish, Mohammad Jane Alam, Shabbir Ahmad

AIP Conf. Proc. 2800, 020021 (2023)

https://doi.org/10.1063/5.0162863

Published: September 2023

View articletitled, Study of vibrational, hirshfeld surface, and DFT analysis on charge-transfer complex between pyrazinamide (PZA) and p-aminobenzoic acid (PABA)

Journal Articles

FT-IR, FT-Raman, DFT computations and molecular docking studies of antiviral drug bifendate

S. V. D. Nisha, I. Hubert Joe

AIP Conf. Proc. 2770, 030004 (2023)

https://doi.org/10.1063/5.0141152

Published: May 2023

View articletitled, FT-IR, FT-Raman, DFT computations and molecular docking studies of antiviral drug bifendate

Journal Articles

Analysis of IR and Raman spectra of Isatin

P. Vidhya, V. Sathyanarayanamoorthi, M. Petchiammal, R. Rathinam

AIP Conf. Proc. 2446, 100012 (2022)

https://doi.org/10.1063/5.0109035

Published: November 2022

View articletitled, Analysis of IR and Raman spectra of Isatin

Journal Articles

Neutron transfer versus collective excitations in sub-barrier fusion dynamics of ²⁸Si + ^90,96Zr reactions

Manjeet Singh Gautam, Vijay, Rishi Pal Chahal, Hitender Khatri, Sukhvinder Duhan

AIP Conf. Proc. 2352, 050019 (2021)

https://doi.org/10.1063/5.0052321

Published: August 2021

View articletitled, Neutron transfer versus collective excitations in sub-barrier fusion dynamics of 28Si + 90,96Zr reactions

Journal Articles

Structure and transport phenomena of non-aqueous electrolyte in Al ion batteries -Study by molecular dynamics-

S. Matsunaga

AIP Conf. Proc. 2380, 020001 (2021)

https://doi.org/10.1063/5.0058316

Published: June 2021

View articletitled, Structure and transport phenomena of non-aqueous electrolyte in Al ion batteries -Study by molecular dynamics-

Journal Articles

Plasmonic nanoantennas array based on T-shape dichroic metastructures for surface-enhanced infrared absorption applications

Dmytro Chubich, Anastasia Pisarenko, Roman Zvagelsky, Pavel Starikov, Danila Kolymagin, Elena Zhukova

AIP Conf. Proc. 2300, 020019 (2020)

https://doi.org/10.1063/5.0031784

Published: December 2020

View articletitled, Plasmonic nanoantennas array based on T-shape dichroic metastructures for surface-enhanced infrared absorption applications

Journal Articles

On approximations for the one-temperature reaction rates

Yu. E. Gorbachev

AIP Conf. Proc. 2293, 050002 (2020)

https://doi.org/10.1063/5.0026463

Published: November 2020

View articletitled, On approximations for the one-temperature reaction rates

Journal Articles

Modified optoelectronic behavior of MoS₂/TiO₂ hybrid nanostructures by thermal annealing

Sanjeev Kumar, J. Shakya, M. K. Kumawat, T. Mohanty

AIP Conf. Proc. 2265, 030726 (2020)

https://doi.org/10.1063/5.0017576

Published: November 2020

View articletitled, Modified optoelectronic behavior of MoS2/TiO2 hybrid nanostructures by thermal annealing

Journal Articles

Graphene quantum dot as a probe for DNA nucleobase detection: A first principle study

Manoj Kumar, Neetika Thakur, Munish Sharma

AIP Conf. Proc. 2265, 030352 (2020)

https://doi.org/10.1063/5.0017174

Published: November 2020

View articletitled, Graphene quantum dot as a probe for DNA nucleobase detection: A first principle study

Journal Articles

The modeling the structure of croconic and squaric acids under pressure

I. G. Batyrev

AIP Conf. Proc. 2272, 070004 (2020)

https://doi.org/10.1063/12.0001092

Published: November 2020

View articletitled, The modeling the structure of croconic and squaric acids under pressure

Journal Articles

Simulations of the structure, vibrational spectra, and energy content of crystalline bis(4-amino-3,5-dinitropyrazol-1-yl)methane under high pressure

I. G. Batyrev, J. C. Bennion, J. A. Ciezak-Jenkins

AIP Conf. Proc. 2272, 050003 (2020)

https://doi.org/10.1063/12.0001034

Published: November 2020

View articletitled, Simulations of the structure, vibrational spectra, and energy content of crystalline bis(4-amino-3,5-dinitropyrazol-1-yl)methane under high pressure

Journal Articles

Estimates of stability characteristics of boundary layer on a plate under conditions of vibrational excitation of a gas

Yurii N. Grigoryev, Igor V. Ershov

AIP Conf. Proc. 2288, 020013 (2020)

https://doi.org/10.1063/5.0028576

Published: October 2020

View articletitled, Estimates of stability characteristics of boundary layer on a plate under conditions of vibrational excitation of a gas

Journal Articles

A theoretical study on molecular structure, frontier orbitals, vibrational spectra of (Z)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4H)-one – DFT approach

Sandeep Yadav, Amrendra Kumar

AIP Conf. Proc. 2220, 070009 (2020)

https://doi.org/10.1063/5.0002210

Published: May 2020

View articletitled, A theoretical study on molecular structure, frontier orbitals, vibrational spectra of (Z)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4H)-one – DFT approach

Journal Articles

Experimental and theoretical investigations of vibrational spectrum and biological activity of dichlorvos

Geethu Sudhi, S. G. Praveen, T. S. Xavier, Peter T. M. Kenny, J. Binoy

AIP Conf. Proc. 2220, 070007 (2020)

https://doi.org/10.1063/5.0002228

Published: May 2020

View articletitled, Experimental and theoretical investigations of vibrational spectrum and biological activity of dichlorvos

Journal Articles

The polarizing power of protonating hydrogen and its influence on vibrational spectrum, NLO and biological activity in piperazinium nitrate crystal

K. Sangeetha, D. E. Nimmi, R. G. Abhilash Kumar, M. K. Marchewka, J. Binoy

AIP Conf. Proc. 2220, 070006 (2020)

https://doi.org/10.1063/5.0002227

Published: May 2020

View articletitled, The polarizing power of protonating hydrogen and its influence on vibrational spectrum, NLO and biological activity in piperazinium nitrate crystal

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Correlation analysis of the vibrational spectra and the structure of β-D-glucopyranose nitrates obtained by the DFT B3LYP quantum chemical method

Synthesis and characterization of samarium (III) hydroxide nanostructures

Influence of anharmonic oscillator model for flows over a cylindrical body

Molecular geometry homo-lumo and charge analysis of 2-Chloro-4-pyridinecarbonitrile

Chemical composition of mango pulp and the comparison of two vibrational spectra

Study of vibrational, hirshfeld surface, and DFT analysis on charge-transfer complex between pyrazinamide (PZA) and p-aminobenzoic acid (PABA)

FT-IR, FT-Raman, DFT computations and molecular docking studies of antiviral drug bifendate

Analysis of IR and Raman spectra of Isatin

Neutron transfer versus collective excitations in sub-barrier fusion dynamics of ²⁸Si + ^90,96Zr reactions

Structure and transport phenomena of non-aqueous electrolyte in Al ion batteries -Study by molecular dynamics-

Plasmonic nanoantennas array based on T-shape dichroic metastructures for surface-enhanced infrared absorption applications

On approximations for the one-temperature reaction rates

Modified optoelectronic behavior of MoS₂/TiO₂ hybrid nanostructures by thermal annealing

Graphene quantum dot as a probe for DNA nucleobase detection: A first principle study

The modeling the structure of croconic and squaric acids under pressure

Simulations of the structure, vibrational spectra, and energy content of crystalline bis(4-amino-3,5-dinitropyrazol-1-yl)methane under high pressure

Estimates of stability characteristics of boundary layer on a plate under conditions of vibrational excitation of a gas

A theoretical study on molecular structure, frontier orbitals, vibrational spectra of (Z)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4H)-one – DFT approach

Experimental and theoretical investigations of vibrational spectrum and biological activity of dichlorvos

The polarizing power of protonating hydrogen and its influence on vibrational spectrum, NLO and biological activity in piperazinium nitrate crystal

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