未登录

S

Sohag Biswas

indian institute of technology system (iit system)

H指数:16

被引数:697

个人简介

暂无内容

教育背景

暂无内容

工作经历

暂无内容

荣誉奖项

暂无内容

Decomposition of Diisopropyl Methylphosphonate and Fluorine-Substituted Isomers on Mixed Metal-Oxide Surfaces: Mechanisms from Ab Initio Molecular Dynamics

二异丙基甲基膦酸酯及其氟代异构体在混合金属氧化物表面的分解：基于从头算分子动力学的机理

The Journal of Physical Chemistry C

IF3.2

2025-12-040

PRE

Large-scale ab initio molecular dynamics for assessing stabilities of near-surface NV centers

大规模从头算分子动力学方法用于评估近表面NV中心的稳定性

APPLIED PHYSICS LETTERS

IF3.6

2025-04-300

PRE

Nonthermal Plasma Activation of Adsorbates: The Case of CO on Pt

IF8.7

2024-07-120

OAAI

Diisopropyl Methylphosphonate and Sarin Decomposition on Pristine vs Hydroxylated Alumina Surfaces: Mechanistic Predictions from Ab Initio Molecular Dynamics

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-06-050

OA

Advanced experimental and computational approaches for advanced reduction of per- and polyfluoroalkyl substances

CURRENT OPINION IN CHEMICAL ENGINEERING

IF6.8

2024-06-012

OAAI

Beyond Conventional Density Functional Theory: Advanced Quantum Dynamical Methods for Understanding Degradation of Per- and Polyfluoroalkyl Substances

ACS ES&T ENGINEERING

IF6.7

2023-08-3115

OAAI

Surface-modified Ag@Ru-P25 for photocatalytic CO2 conversion with high selectivity over CH4 formation at the solid-gas interface

IF24.2

2023-07-1125

OAAI

Degradation of Perfluorooctanoic Acid on Aluminum Oxide Surfaces: New Mechanisms from Ab Initio Molecular Dynamics Simulations

ENVIRONMENTAL SCIENCE & TECHNOLOGY

IF11.3

2023-04-0526

OAAI

Photo-Responsive Signatures in a Porous Organic Polymer Enable Visible Light-Driven CO2 Photofixation

多孔有机聚合物中的光响应特征可实现可见光驱动的CO2光固定

ACS SUSTAINABLE CHEMISTRY & ENGINEERING

IF7.3

2023-02-0236

PRE

Reduced Energy Cost of Ammonia Synthesis Via RF Plasma Pulsing

通过射频等离子体脉冲降低氨合成的能源成本

ACS SUSTAINABLE CHEMISTRY & ENGINEERING

IF7.3

2022-11-0925

OA

Degradation of Per- and Polyfluoroalkyl Substances with Hydrated Electrons: A New Mechanism from First-Principles Calculations

ENVIRONMENTAL SCIENCE & TECHNOLOGY

IF11.3

2022-04-2858

OAAI

Electrocatalytic water oxidation performance in an extended porous organic framework with a covalent alliance of distinct Ru sites

IF5.1

2022-01-0119

PRE

High-Temperature Decomposition of Diisopropyl Methylphosphonate on Alumina: Mechanistic Predictions from Ab Initio Molecular Dynamics

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-10-0426

OA

Ab initio metadynamics calculations reveal complex interfacial effects in acetic acid deprotonation dynamics

从头算元动力学计算揭示了乙酸去质子化动力学中的复杂界面效应

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2021-05-0126

OAAI

Differing preferential ion binding to the peptide bond in ionic environment from classical and first principles molecular dynamics simulations

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2020-11-011

PREAI

Solvent-mediated dynamics and stretching profile of amide modes: QM/MM simulations of N-methylacetamide in ionic and various molecular liquids

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2020-11-013

PREAI

Aqueous hydroxyl group as the vibrational probe to access the hydrophobicity of amide derivatives

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2020-03-018

PREAI

Interstitial Voids and Resultant Density of Liquid Water: A First-Principles Molecular Dynamics Study

IF4.3

2018-02-1922

OAAI

Proton transfer from water to anion: Free energy profile from first principles metadynamics simulations

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2016-07-0110

PREAI

Aqueous solvation of an amide molecule from first principles molecular simulations: Structure, hydrogen bond dynamics and spectral signature

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2015-12-0123

PREAI