An n-Channel Two-Dimensional Covalent Organic Framework X Ding, L Chen, Y Honsho, X Feng, O Saengsawang, J Guo, A Saeki, ... Journal of the American Chemical Society 133 (37), 14510-14513, 2011 | 381 | 2011 |
C20: the smallest fullerene? V Parasuk, J Almlöf Chemical physics letters 184 (1-3), 187-190, 1991 | 172 | 1991 |
The Biginelli reaction is a urea-catalyzed organocatalytic multicomponent reaction M Puripat, R Ramozzi, M Hatanaka, W Parasuk, V Parasuk, K Morokuma The Journal of organic chemistry 80 (14), 6959-6967, 2015 | 129 | 2015 |
The [18] all-carbon molecule: cumulene or polyacetylene? V Parasuk, J Almlof, MW Feyereisen Journal of the American Chemical Society 113 (3), 1049-1050, 1991 | 124 | 1991 |
The electronic and molecular structure of C6: Complete active space self‐consistent‐field and multireference configuration interaction V Parasuk, J Almlöf The Journal of chemical physics 91 (2), 1137-1141, 1989 | 112 | 1989 |
Insights into saquinavir resistance in the G48V HIV-1 protease: quantum calculations and molecular dynamic simulations K Wittayanarakul, O Aruksakunwong, S Saen-oon, W Chantratita, ... Biophysical journal 88 (2), 867-879, 2005 | 75 | 2005 |
The electronic and molecular structure of C4: Multireference configuration‐interaction calculations V Parasuk, J Almlöf The Journal of chemical physics 94 (12), 8172-8178, 1991 | 65 | 1991 |
The electronic and molecular structure of carbon clusters: C8 and C10 V Parasuk, J Almlöf Theoretica chimica acta 83, 227-237, 1992 | 62 | 1992 |
Source of high pathogenicity of an avian influenza virus H5N1: why H5 is better cleaved by furin P Decha, T Rungrotmongkol, P Intharathep, M Malaisree, ... Biophysical Journal 95 (1), 128-134, 2008 | 52 | 2008 |
COLUMBUS, an ab initio electronic structure program H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ... Release 5 (1), 2006 | 50 | 2006 |
COLUMBUS, an ab initio electronic structure program, release 7.0 H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ... Vienna, AT, 2017 | 48 | 2017 |
On the lower susceptibility of oseltamivir to influenza neuraminidase subtype N1 than those in N2 and N9 O Aruksakunwong, M Malaisree, P Decha, P Sompornpisut, V Parasuk, ... Biophysical Journal 92 (3), 798-807, 2007 | 46 | 2007 |
Theoretical investigations on the stereoselectivity of the proline catalyzed Mannich reaction in DMSO W Parasuk, V Parasuk The Journal of Organic Chemistry 73 (23), 9388-9392, 2008 | 45 | 2008 |
COLUMBUS, an ab initio electronic structure program, release 5.9. 1 H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ... Wien, Austria, 2006 | 40 | 2006 |
Automated calculation of docking of artemisinin to heme S Tonmunphean, V Parasuk, S Kokpol Molecular modeling annual 7, 26-33, 2001 | 40 | 2001 |
Multireference configuration interaction and second-order perturbation theory calculations for the 1 3A ″, 1 1A ″, and 1 1A′ electronic states of vinylnitrene and … V Parasuk, CJ Cramer Chemical physics letters 260 (1-2), 7-14, 1996 | 40 | 1996 |
QSAR Study of Antimalarial Activities and Artemisinin‐Heme Binding Properties Obtained from Docking Calculations S Tonmunphean, V Parasuk, S Kokpol Quantitative Structure‐Activity Relationships: An International Journal …, 2000 | 37 | 2000 |
Theoretical study on the intramolecular hydrogen bond in chloro-substituted N, N-dimethylaminomethylphenols. I. Structural effects A Koll, V Parasuk, W Parasuk, A Karpfen, P Wolschann Journal of molecular structure 700 (1-3), 81-90, 2004 | 36 | 2004 |
The torsional potential of dimethyl peroxide: Still a difficult case for theory S Tonmunphean, V Parasuk, A Karpfen The Journal of Physical Chemistry A 106 (2), 438-446, 2002 | 36 | 2002 |
Accurate torsional potentials in conjugated systems: ab initio and density functional calculations on 1,3-butadiene and monohalogenated butadienes A Karpfen*, V Parasuk Molecular Physics 102 (8), 819-826, 2004 | 33 | 2004 |