화학공학소재연구정보센터
검색결과 : 27건
No. Article
1 Double helicenes
Bachrach SM
Chemical Physics Letters, 666, 13, 2016
2 Designing a "Flatter" ExBox(4+) Analogue
Bachrach SM, Nickle ZOM
Journal of Physical Chemistry A, 119(42), 10613, 2015
3 Conformational Equilibria in Butane-1,4-diol: A Benchmark of a Prototypical System with Strong Intramolecular H-bonds
Kozuch S, Bachrach SM, Martin JML
Journal of Physical Chemistry A, 118(1), 293, 2014
4 Microsolvation of 1,4-Butanediol: The Competition between Intra- and Intermolecular Hydrogen Bonding
Bachrach SM
Journal of Physical Chemistry A, 118(6), 1123, 2014
5 All-Carbon, Neutral Analogue of ExBox(4+): A DFT Study of Polycyclic Aromatic Hydrocarbon Binding
Bachrach SM, Andrews AE
Journal of Physical Chemistry A, 118(31), 6104, 2014
6 Mechanism of Thiolate-Disulfide Exchange: Addition-Elimination or Effectively S(N)2? Effect of a Shallow Intermediate in Gas-Phase Direct Dynamics Simulations
Paranjothy M, Siebert MR, Hase WL, Bachrach SM
Journal of Physical Chemistry A, 116(47), 11492, 2012
7 DFT Study of [2.2]-, [3.3]-, and [4.4]Paracyclophanes: Strain Energy, Conformations, and Rotational Barriers
Bachrach SM
Journal of Physical Chemistry A, 115(11), 2396, 2011
8 Microsolvation of Uracil and Its Conjugate Bases: A DFT Study of the Role of Solvation on Acidity
Bachrach SM, Dzierlenga MW
Journal of Physical Chemistry A, 115(22), 5674, 2011
9 Microsolvation of Cysteine: A Density Functional Theory Study
Bachrach SM, Nguyen TT, Demoin DW
Journal of Physical Chemistry A, 113(21), 6172, 2009
10 Microsolvation of glycine: A DFT study
Bachrach SM
Journal of Physical Chemistry A, 112(16), 3722, 2008