PERHITUNGAN NUMERIK KONDUKTIVITAS TERMAL SINGLE-WALL CARBON NANOTUBE TERHADAP TEMPERATUR MENGGUNAKAN SIMULASI DINAMIKA MOLEKULER

by VERA KHOIRUNISA, 080710013
Published 2019

DFT and CBS study of ethyl acetate conformers in the neutral hydrolysis

by Vera Khoirunisa, Rusydi, Febdian, Roichatul Madinah, Dipojono, Hermawan Kresno, Ahmad, Faozan, Mudasir, Ira Puspitasari, Azizan Ahmad
Published 2022

The significance of longrange correction to the hydroperoxyl radicalscavenging reaction of transresveratrol and gnetin C.

by Vera Khoirunisa, .-, Febdian Rusydi*, .-, Lusia S P Boli, .-, Ira Puspitasari, .-, Heni Rachmawati, .-, Hermawan K Dipojono*, .-
Published 2021

O—H and C—H bond dissociations in non-phenyl and phenyl groups: A DFT study with dispersion and long-range corrections.

by Lusia Silfia Pulo Boli,, .-, Febdian Rusydi*, .-, Vera Khoirunisa,, .-, Ira Puspitasari,, .-, Heni Rachmawati, .-, Hermawan Kresno Dipojono., .-
Published 2021

Justification on cyclopropene to propyne isomerization pathway based on vibrational calculations

by Roichatul Madinah, .-, Febdian Rusydi*, .-, L. S. P. Boli, .-, Vera Khoirunisa, .-, Mochamad Zakki Fahmi,, .-, A. H. Zaidan., .-
Published 2019

Solvent Effect on Bond Dissociation Enthalpy (BDE) of Tetrahydrocurcumin: A Theoretical Study

by Lusia Silfia Pulo Boli, .-, Nufida Dwi Aisyah, .-, Vera Khoirunisa, .-, Heni Rachmawati, .-, Hermawan Kresno Dipojono, .-, Febdian Rusydi, .-
Published 2019

Theoretical Study on Frontier Orbitals of Dehydrogenated Tetrahydrocurcumin in Gas Phase

by Lusia S. P. Boli, .-, Vera Khoirunisa, .-, Adhitya G. Saputra, .-, Mohammad K. Agusta, .-, Febdian Rusydi, .-, Heni Rachmawati, .-, Hermawan K. Dipojono, .-
Published 2019

Frontier Orbitals of Dehydrogenated Tetrahydrocurcumin in Water Solvent: A Theoretical Study

by Lusia S. P. Boli, .-, Vera Khoirunisa, .-, Adhitya G. Saputro, .-, Mohammad K. Agusta, .-, Febdian Rusydi, .-, Heni Rachmawati, .-, Hermawan K. Dipojono, .-
Published 2017

A Density-functional Study of the Conformational Preference of Acetylcholine in the Neutral Hydrolysis

by Rizka N. Fadilla, .-, Febdian Rusydi, .-, Nufida D. Aisyah, .-, Vera Khoirunisa, .-, Hermawan K. Dipojono, .-, Faozan Ahmad, .-, Mudasir Mudasir, .-, Ira Puspitasari., .-
Published 2020

Predicting Notable Radical Scavenging Sites of Gnetin C Using Density Functional Theory

by Vera Khoirunisa, .-, Lusia Silfia Pulo Boli, .-, Rizka Nur Fadilla, .-, Adhitya Gandaryus Saputro, .-, Heni Rachmawati, .-, Hermawan Kresno Dipojono, .-, Febdian Rusydi, .-
Published 2018

Computational Investigation on the • OOH Scavenging Sites of Gnetin C

by Vera Khoirunisa, .-, Febdian Rusydi*, .-, Lusia S. P. Boli, .-, Adhitya G. Saputro, .-, Hiroshi Nakanishi, .-, Hideaki Kasai, .-, Hermawan K. Dipojono*, .-, Heni Rachmawati, .-
Published 2021