Search Results - "Armunanto, Ria"

Revisiting structure and dynamics of Ag+ in 18.6% aqueous ammonia: An ab initio quantum mechanical charge field simulation by Prasetyo, Niko, Armunanto, Ria

“…[Display omitted] •Very first application of QMCF-MD to investigate Ag+ ion in aqueous ammonia.•First solvation shell is labile compared to result from…”
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Chalcone analogue as potent anti-malarial compounds against Plasmodium falciparum:Synthesis,biological evaluation,and docking simulation study by Syahri, Jufrizal, Yuanita, Emmy, Nurohmah, Beta Achromi, Armunanto, Ria, Purwono, Bambang

“…Objective: To investigate in vitro antimalarial activity of chalcone derivative compounds against Plasmodum falciparum 3D7（Pf3D7） strain and in silico…”
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Revisiting structure and dynamics of preferential solvation of K(I) ion in aqueous ammonia using QMCF-MD simulation by Hidayat, Yuniawan, Pranowo, Harno Dwi, Armunanto, Ria

“…[Display omitted] •The used of QMCF-MD method to reinvestigate of K(I) ion in aqueous ammonia system is successfully proving that alkali prefers to be solvated…”
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Lithium(I) in liquid ammonia: A quantum mechanical charge field (QMCF) molecular dynamics simulation study by Prasetyo, Niko, Canaval, Lorenz R., Wijaya, Karna, Armunanto, Ria

“…•Very first application of QMCF-MD approach to study an ion Li+ in liquid ammonia.•Li(I) is coordinated to four ammonia molecules.•The first solvation shell is…”
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QMCF-MD Simulation and NBO Analysis of K(I) Ion in Liquid Ammonia by Hidayat, Yuniawan, Armunanto, Ria, Pranowo, Harno Dwi

“…Ab initio of Quantum Mechanics Charge Field Molecular Dynamic (QMCF-MD) of K(I) ion in liquid ammonia has been studied. A Hartree-Fock level of theory was…”
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Investigation of the Structural and Dynamical Properties of Cu+ in Liquid Ammonia: A Quantum Mechanical Charge Field (QMCF) Molecular Dynamics Study by Saputri, Wahyu Dita, Wijaya, Karna, Armunanto, Ria

“…A quantum mechanical charge field (QMCF) molecular dynamics (MD) simulation has been carried out to describe the structural and dynamical properties of Cu+ ion…”
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Hydrocracking of α-Cellulose Using Co, Ni, and Pd Supported on Mordenite Catalysts by Trisunaryanti, Wega, Triyono, Triyono, Armunanto, Ria, Hastuti, Lathifah Puji, Ristiana, Desinta Dwi, Ginting, Resi Vita

“…Hydrocracking of α-cellulose has been conducted in a semi-batch reactor at 400, 450, and 500 °C with hydrogen flow (30 mL/min.) for 4 h. Mordenite (MOR) and…”
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Determination of Effective Functional Monomer and Solvent for R(+)-Cathinone Imprinted Polymer Using Density Functional Theory and Molecular Dynamics Simulation Approaches by Saputra, Andrian, Wijaya, Karna, Armunanto, Ria, Tania, Lisa, Tahir, Iqmal

“…Determination of effective functional monomer and solvent for R(+)-cathinone imprinted polymer through modeling has been done using density functional theory…”
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Desain Senyawa Turunan Karbamat Sebagai Insektisida Baru Menggunakan Metoda In Silico by Ananto, Agus Dwi, Mudasir, Mudasir, Armunanto, Ria

“…Linear equation of QSAR model of insecticidal activity of carbamate derivatives based on atomic charge and hydrofobic, electronic and steric descriptors has…”
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Comparison of Sonication with Maceration on Antioxidant Potency of Anthocyanin and Karotenoid of Tamarillo (Solanum betaceaum Cav.) by Puspawati, Gusti Ayu Kadek Diah, Marsono, Yustinus, Supriyadi, Supriyadi, Armunanto, Ria

“…Tamarillo is an underutilized fruit in Indonesia, despite the fact that it contains two pigments (anthocyanin and carotenoid) with different properties (polar…”
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DESIGN OF LOW CYTOTOXICITY DIARYLANILINE DERIVATIVES BASED ON QSAR RESULTS: AN APPLICATION OF ARTIFICIAL NEURAL NETWORK MODELLING by Arief, Ihsanul, Armunanto, Ria, Setiaji, Bambang, Fachrie, Muhammad

“…Study on cytotoxicity of diarylaniline derivatives by using quantitative structure-activity relationship (QSAR) has been done. The structures and…”
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EXTRACTION OF STRONTIUM(II) BY CROWN ETHER: INSIGHTS FROM DENSITY FUNCTIONAL CALCULATION by Hadisaputra, Saprizal, Pranowo, Harno Dwi, Armunanto, Ria

“…The structures, energetic and thermodynamic parameters of crown ethers with different cavity size, electron donating/withdrawing substituent groups and donor…”
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Aktivitas Antioksidan Kulit Biji Kakao dari Hasil Penyangraian Biji Kakao Kering pada Derajat Ringan, Sedang dan Berat by Utami, Ratri Retno, Supriyanto, Supriyanto, Rahardjo, Sri, Armunanto, Ria

“…Cocoa bean shell is waste from chocolate industry that containing polyphenol 5.78 % and can be used as natural antioxidant source. The most important step in…”
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Structure and Dynamics of Zr4+ in Aqueous Solution: An Ab Initio QM/MM Molecular Dynamics Study by Suwardi, Suwardi, Pranowo, Harno Dwi, Armunanto, Ria

“…A QM/MM molecular dynamics (MD) simulation has been carried out using three-body corrected pair potential to investigate the structural and dynamical…”
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Theoretical Study on the Extraction of Alkaline Earth Salts by 18-Crown-6: Roles of Counterions, Solvent Types and Extraction Temperatures by Hadisaputra, Saprizal, Canaval, Lorenz R, Pranowo, Harno Dwi, Armunanto, Ria

“…The roles of counterions, solvent types and extraction temperatures on the selectivity of 18-crown-6 (L) toward alkaline earth salts MX2 (M = Ca, Sr, Ba; X =…”
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Comprehensive Study on The Solvation of Sr(II) Ion by Fitriani, Ika N., Utami, Wiji, Prasetyo, Niko, Armunanto, Ria

“…Solvation of Sr2+ ion in liquid ammonia has been studied using the HF, DFT (B3LYP), second-order Møller-Plesset (MP2) and CCSD theory. Single valence basis…”
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STUDY ON ANTI-HIV ACTIVITY OF DIARYLANILINE DERIVATIVES USING QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR) by Arief, Ihsanul, Armunanto, Ria, Setiaji, Bambang

“…Study on anti-HIV activity of diarylaniline derivative compounds by using quantitative structure-activity relationship (QSAR) has been done. The compounds…”
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THEORETICAL STUDY ON 15-CROWN-5 COMPLEX WITH SOME METAL CATIONS by Yahmin, Yahmin, Pranowo, Harno Dwi, Armunanto, Ria

“…The capability of 15-crown-5 ethers to form complexes with some metal cations (Li+, Na+, K+, Zn2+, Cd2+ and Hg2+) was investigated by an ab initio quantum…”
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CONFORMATIONAL EQUILIBRIUM AND SPECTROSCOPIC PROPERTIES OF CALIX[4]ARENE: THEORETICAL STUDY USING AB INITIO METHOD by Sudrajat, Hanggara, Armunanto, Ria

“…Molecular structures were optimized for the calix[4]arene by ab initio method at the Hartree-Fock level of theory using LANL2DZ and 6-311G basis sets…”
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RELATION OF ELECTRONIC STRUCTURES WITH THEIR ANTIMALARIAL ACTIVITIES ON ARTEMISININ DERIVATIVES by Armunanto, Ria, Sudiono, Sri

“…Relation of electronic structures with their anti malaria activities on artemisinin derivatives was evaluated by means of quantitative structure activity…”
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