화학공학소재연구정보센터
검색결과 : 15건
No. Article
1 Accuracy of DLPNO-CCSD(T): Effect of Basis Set and System Size
Sandler I, Chen JB, Taylor M, Sharma S, Ho JM
Journal of Physical Chemistry A, 125(7), 1553, 2021
2 Are Explicit Solvent Models More Accurate than Implicit Solvent Models? A Case Study on the Menschutkin Reaction
Chen JB, Shao YH, Ho JM
Journal of Physical Chemistry A, 123(26), 5580, 2019
3 Accelerating the Calculation of Solute-Solvent Interaction Energies through Systematic Molecular Fragmentation
Collins MA, Ho JM
Journal of Physical Chemistry A, 123(39), 8476, 2019
4 Predicting Octanol-Water Partition Coefficients: Are Quantum Mechanical Implicit Solvent Models Better than Empirical Fragment-Based Methods?
Kundi V, Ho JM
Journal of Physical Chemistry B, 123(31), 6810, 2019
5 Unanticipated Stickiness of alpha-Pinene
Chase HM, Ho JM, Upshur MA, Thomson RJ, Batista VS, Geiger FM
Journal of Physical Chemistry A, 121(17), 3239, 2017
6 Calculating Free Energy Changes in Continuum Solvation Models
Ho JM, Ertem MZ
Journal of Physical Chemistry B, 120(7), 1319, 2016
7 pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones
Howe ENW, Busschaert N, Wu X, Berry SN, Ho JM, Light ME, Czech DD, Klein HA, Kitchen JA, Gale PA
Journal of the American Chemical Society, 138(26), 8301, 2016
8 Accurate Line Shapes from Sub-1 cm(-1) Resolution Sum Frequency Generation Vibrational Spectroscopy of alpha-Pinene at Room Temperature
Mifflin AL, Velarde L, Ho JM, Psciuk BT, Negre CFA, Ebben CJ, Upshur MA, Lu Z, Strick BL, Thomson RJ, Batista VS, Wang HF, Geiger FM
Journal of Physical Chemistry A, 119(8), 1292, 2015
9 Feasibility of using a rotating packed bed in preparing Fe3O4 nanoparticles
Lin CC, Ho JM, Hsieh HL
Chemical Engineering Journal, 203, 88, 2012
10 Rigid Body Brownian Dynamics as a Tool for Studying Ion Channel Blockers
Gordon D, Chen R, Ho JM, Coote ML, Chung SH
Journal of Physical Chemistry B, 116(6), 1933, 2012