עקוב אחר
Sohag Biswas
Sohag Biswas
PostDoc, Chemical and Environmental Engineering, University of California, Riverside, USA
כתובת אימייל מאומתת בדומיין ucr.edu
כותרת
צוטט על ידי
צוטט על ידי
שנה
Degradation of per-and polyfluoroalkyl substances with hydrated electrons: a new mechanism from first-principles calculations
S Biswas, SS Yamijala, BM Wong
Environmental Science & Technology 56 (12), 8167-8175, 2022
572022
Interstitial voids and resultant density of liquid water: a first-principles molecular dynamics study
S Biswas, D Chakraborty, BS Mallik
ACS omega 3 (2), 2010-2017, 2018
252018
Influence of the intrinsic nanocore environment in a Pd-metalated porous organic polymer for catalytic biomass-derived furfural upgrading
B Boro, P Koley, HL Tan, S Biswas, R Paul, S Bhargava, W Liu, BM Wong, ...
ACS Applied Nano Materials 5 (10), 14706-14721, 2022
242022
Ab initio metadynamics calculations reveal complex interfacial effects in acetic acid deprotonation dynamics
S Biswas, BM Wong
Journal of Molecular Liquids 330, 115624, 2021
232021
Ultrafast vibrational spectroscopy of aqueous solution of methylamine from first principles MD simulations
S Biswas, BS Mallik
ChemistrySelect 2 (1), 74-83, 2017
222017
Effects of Temperature on the Structure and Dynamics of Aqueous Mixtures of N,N-Dimethylformamide
S Biswas, BS Mallik
Journal of Chemical & Engineering Data 59 (10), 3250-3257, 2014
222014
Aqueous solvation of an amide molecule from first principles molecular simulations: Structure, hydrogen bond dynamics and spectral signature
S Biswas, BS Mallik
Journal of Molecular Liquids 212, 941-946, 2015
212015
High-temperature decomposition of diisopropyl methylphosphonate on alumina: mechanistic predictions from ab initio molecular dynamics
S Biswas, BM Wong
The Journal of Physical Chemistry C 125 (40), 21922-21932, 2021
202021
Time-dependent vibrational spectral analysis of first principles trajectory of methylamine with wavelet transform
S Biswas, BS Mallik
Physical Chemistry Chemical Physics 19 (15), 9912-9922, 2017
202017
Ab initio metadynamics calculations of dimethylamine for probing p K b variations in bulk vs. surface environments
S Biswas, H Kwon, KC Barsanti, N Myllys, JN Smith, BM Wong
Physical Chemistry Chemical Physics 22 (45), 26265-26277, 2020
192020
Photo-Responsive Signatures in a Porous Organic Polymer Enable Visible Light-Driven CO2 Photofixation
N Das, R Paul, S Biswas, R Das, R Chatterjee, A Bhaumik, SC Peter, ...
ACS Sustainable Chemistry & Engineering 11 (6), 2066-2078, 2023
172023
Electrocatalytic water oxidation performance in an extended porous organic framework with a covalent alliance of distinct Ru sites
B Boro, MK Adak, S Biswas, C Sarkar, Y Nailwal, A Shrotri, B Chakraborty, ...
Nanoscale 14 (20), 7621-7633, 2022
162022
Degradation of Perfluorooctanoic Acid on Aluminum Oxide Surfaces: New Mechanisms from Ab Initio Molecular Dynamics Simulations
S Biswas, BM Wong
Environmental science & technology 57 (16), 6695-6702, 2023
142023
Reduced energy cost of ammonia synthesis via RF plasma pulsing
M Kim, S Biswas, G Nava, BM Wong, L Mangolini
ACS Sustainable Chemistry & Engineering 10 (46), 15135-15147, 2022
132022
Proton transfer from water to anion: Free energy profile from first principles metadynamics simulations
S Biswas, BS Mallik
Journal of Molecular Liquids 219, 810-814, 2016
112016
Proton transfer from water to ketyl radical anion: Assessment of critical size of hydrated cluster and free energy barrier in solution from first principles simulations
S Biswas, T Dasgupta, BS Mallik
Chemical Physics 477, 46-51, 2016
92016
A delicate case of unidirectional proton transfer from water to an aromatic heterocyclic anion
S Biswas, BS Mallik
Physical Chemistry Chemical Physics 18 (43), 29979-29986, 2016
82016
Aqueous hydroxyl group as the vibrational probe to access the hydrophobicity of amide derivatives
S Biswas, BS Mallik
Journal of Molecular Liquids 301, 112395, 2020
72020
Structural and mechanistic insights of substituted perimidine-experimental and computational studies
S Anga, S Biswas, RK Kottalanka, BS Mallik, TK Panda
Canadian Chemical Transactions 2 (1), 72-82, 2014
72014
Beyond Conventional Density Functional Theory: Advanced Quantum Dynamical Methods for Understanding Degradation of Per-and Polyfluoroalkyl Substances
S Biswas, BM Wong
ACS Es&t Engineering 4 (1), 96-104, 2023
62023
המערכת אינה יכולה לבצע את הפעולה כעת. נסה שוב מאוחר יותר.
מאמרים 1–20