William R. Smith - Publications, H-index & Citations

William R. Smith

University of Guelph

61H指数

478论文数

1.6W被引数

收录论文 13

发表时间

Stoichiometric and non-stoichiometric methods for modeling gasification and other reaction equilibria: A review of their foundations and their interconvertibility

RENEWABLE & SUSTAINABLE ENERGY REVIEWS

IF16.3

2024-01-01

PREAI

Smith, William R.; Tahir, Hamdah; Leal, Allan M. M.

Atomistic simulation framework for molten salt vapor-liquid equilibrium prediction and its application to NaCl

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-04-12

OAAI

Tran, Leann; Skvara, Jiri; Smith, William R.

Force-Field-Based Computational Study of the Thermodynamics of a Large Set of Aqueous Alkanolamine Solvents for Post-Combustion CO2 Capture

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-08-26

PREAI

Noroozi, Javad; Smith, William R.

Accurately Predicting CO2 Reactive Absorption Properties in Aqueous Alkanolamine Solutions by Molecular Simulation Requiring No Solvent Experimental Data

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

IF3.9

2020-09-14

PREAI

Noroozi, Javad; Smith, William R.

A Simple Method for Including Polarization Effects in Solvation Free Energy Calculations When Using Fixed-Charge Force Fields: Alchemically Polarized Charges

ACS OMEGA

IF4.3

2020-07-07

OAAI

Kelly, Braden D.; Smith, William R.

Alchemical Hydration Free-Energy Calculations Using Molecular Dynamics with Explicit Polarization and Induced Polarity Decoupling: An On-the-Fly Polarization Approach

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-01-13

PREAI

Kelly, Braden D.; Smith, William R.

Ultrathin MoS2 Nanosheets Decorated Hollow CoP Heterostructures for Enhanced Hydrogen Evolution Reaction 超薄MoS2纳米片修饰的中空CoP异质结构用于增强析氢反应

ACS SUSTAINABLE CHEMISTRY & ENGINEERING

IF7.3

2019-05-02

PREAI

Ge, Yuancai; Chu, Hang; Chen, Jiyi; Zhuang, Peiyuan; Feng, Qianyi; Smith, William R.; Dong, Pei; Ye, Mingxin; Shen, Jianfeng

Nesting Co3Mo Binary Alloy Nanoparticles onto Molybdenum Oxide Nanosheet Arrays for Superior Hydrogen Evolution Reaction 将Co3Mo二元合金纳米颗粒嵌套到氧化钼纳米片阵列上，以实现优越的析氢反应

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2019-01-08

PREAI

Chen, Jiyi; Ge, Yuancai; Feng, Qianyi; Zhuang, Peiyuan; Chu, Hang; Cao, Yudong; Smith, William R.; Dong, Pei; Ye, Mingxin; Shen, Jianfeng

Pd-Co nanoalloys nested on CuO nanosheets for efficient electrocatalytic N2 reduction and room-temperature Suzuki-Miyaura coupling reaction

NANOSCALE

IF5.1

2019-01-01

PREAI

Fu, Wenzhi; Cao, Yudong; Feng, Qianyi; Smith, William R.; Dong, Pei; Ye, Mingxin; Shen, Jianfeng

Molecular Simulation of Chemical Reaction Equilibrium by Computationally Efficient Free Energy Minimization

ACS CENTRAL SCIENCE

IF10.4

2018-08-23

OAAI

Smith, William R.; Qi, Weikai

NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-05-30

OAAI

Zimmermann, Nils. E. R.; Vorselaars, Bart; Espinosa, Jorge R.; Quigley, David; Smith, William R.; Sanz, Eduardo; Vega, Carlos; Peters, Baron

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-04-20

PREAI

Moucka, Filip; Kolafa, Jiri; Lisal, Martin; Smith, William R.

Molecular simulation of caloric properties of fluids modelled by force fields with intramolecular contributions: Application to heat capacities

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-07-20

OAAI

Smith, William R.; Jirsak, Jan; Nezbeda, Ivo; Qi, Weikai

研究方向