1. No category

(2015.02.14)
GRRM プログラムの適用例を、対象の化学組成・化合物に着目して、以下に示します。
凡例： 対象化学組成・化合物
H2O, H2CO
論文誌・巻(年)頁
Chem. Phys. Lett. 381 (2004) 277.
H5C2NO2
Glycine
Chemistry Letters 33 (2004) 1372.
H5C2NO2
Glycine
Chem. Phys. Lett. 398 (2004) 240.
HCN, (H2O)2, H12C6N2O2
Chem. Phys. Lett. 404 (2005) 95.
H2CO, H4C3
Propyne
J. Phys. Chem. A 109 (2005) 5742.
H3C2N
Acetonitrile
J. Phys. Chem. A 109 (2005) 7319.
HC3N
Cyanoacetylene
Chem. Phys. Lett. 418 (2006) 208.
H5CN, H6C2NO2, H7C2NO, H6C2N2O
Astrophys. J. 640 (2006) 823.
H7C2NO2
Chemistry Lett. 35 (2006) 492.
Alanine
C20
J. Chem. Phys. 124 (2006) 174306.
H2CO, H2CO2, LiCHO, AlCHO, CuCHO, HCO2Li,
J. Phys. Chem. A 110 (2006) 8933.
H16O8
(H2O)8
J. Phys. Chem. A 111 (2007) 4527.
H4C2O
Acetoaldehyde
J. Phys. Chem. A 111 (2007) 5099.
H10BC2N
(CH3)2NH-BH3
Organomet. 26 (2007) 3597.
H17O8+
H+(H2O)8
J. Phys. Chem. A 111 (2007) 10732.
H7C2+, H9C3+
H10C5O3Ru
Chem. Phys. Lett. 447 (2007) 21.
H8C5O3–RuH2
J. Phys. Chem. A 111 (2007) 1368.
H2S-(H2O)n (n=5, 6, 7)
J. Phys. Chem. A 112 (2008) 2963.
(OH)2PS2Cu-CH3O2
J. Phys. Chem. A 112 (2008) 5720.
H2CO
CHem. Phys. Lett. 460 (2008) 55.
(H2O)n (n=2-5)
J. Chem. Phys. 129 (2008) 074315.
H2CO, H3C2N, H7C2NO2,
Phys. Scripta 78 (2008) 058122.
H4CO2S2PCu
Tetrahedron Lett. 49 (2008) 6841.
RuHCl-BINAP
J. Am. Chem. Soc. 130 (2008) 17228.
H3CO3
Chem. Phys. Lett. 469 (2009) 57.
H+(H2O)n (n=5, 6, 7)
J. Compt. Chem. 30 (2009) 952.
H2CO
J. Phys. Chem. A 113 (2009) 1704.
H6Si6
Organomet. 28 (2009) 2218.
(H2CO)(H2O)100, Si6(C12H17)6
J. Chem. Theoret. Compt. 5 (2009) 2736.
H9O4Cl
Chem. Phys. 358 (2009) 196.
HCl(H2O)4
H2CO
J. Chem. Phys. 130 (2009) 114304.
RuHCl-BINAP
J. Mol. Catalysis A 324 (2010) 133.
R2Si=NR (R=CH2Ph, Ph, 1-adamntyl, SiMe3)
New J. Chem. 34 (2010) 1637.
H6C6
J. Chem. Theory Comput. 6(2010) 1538.
H6C3O
J. Phys. Chem. Lett. 1 (2010) 1841.
O-Si(001)
J. Phys. Chem. C 114 (2010) 15671.
H2CO-H2O
J. Phys. Chem. A 114 (2010) 11896.
H6C3O
J. Phys. Chem. A 114 (2010) 9864.
H8C4O
Chem. Phys. Chem. 11 (2010) 3883.
R2CO-R3PCR2
J. Chem. Phys. 132 (2010) 241102.
H6C6
Chem. Phys. Lett. 503 (2011) 322.
H2CO, Ar38, C20, (H2O)8, H+(H2O)8
Mol. Sci. 5 (2011) A0042.
(H2O)n (n=3-11)
Chem. Science 2 (2011) 686.
In- (n=3, 5, 7)
Compt. Theo. Chem. 973 (2011) 69.
NO3
J. Phys. Chem. Lett. 2 (2011) 934.
RCO2H+R2CO
Angew. Chem. Int. Ed. 50 (2011) 644.
C10H8-O2
J. Phys. Chem. Lett. 2, (2011) 852.
H2C=CH-OH+H2CO+H2O
J. Chem. Theory Comput. 7 (2011) 2335.
HCo(CO)3+CO+H2+C2H4
J. Chem. Theory Comput. 8 (2012) 380.
C3H6O, (C3H6O)2
Phys. Chem. Chem. Phys. 14 (2012) 712.
BCNOS "Progress in Theoretical Chemistry and Physics", 22 (2012) 381, Springer.
H2CO, H6C3O
H9C9N3
Adv. Phys. Chem. 2012 (2012) 268124.
(H3C3N)3
H2O+H2C=C(H)OH+H2CO in (H2O)299
J. Phys. Chem. A 112 (2012) 7937.
J. Chem. Theory Comput. 8 (2012) 5058.
H2CO2
J. Phys. Chem. Lett. 3 (2012) 1900.
NO3
J. Chem. Theory Comput. 8 (2012) 2600.
Zr4H8, (C5Me4SiMe3)Zr(CH2SiMe3)3
Organomet. 32 (2013) 2145.
Ptn (n=6, 7), Pt6O, Pt6O(N2O), Pt7O, Pt7O2 J. Phys. Chem. A 117 (2013) 1275.
Na(H2O)n (n=<8)
Chem. Phys. 419 (2013) 124.
(NSC=Si)R6 (R=H, Me, Ant, Xyl)
J. Am. Chem. Soc. 135 (2013) 10606.
C6H
J. Chem. Phys. 139 (2013) 224311.
H2C2O
J. Phys. Chem. A 117 (2013) 7001.
H3CNH2
J. Phys. Chem. A 117 (2013) 5757.
H4C3,H5C2NO2,H6C3O2, HCo(CO)3+CO+H2+C2H4 Phys.Chem.Chem.Phys.15(2013)3683.
PhCHO+C6H9-OSiMe3
J. Chem. Theory Comput. 9 (2013) 2882.
PhCHO+C6H9-OSiMe3+Eu(H2O)8
J. Am. Chem. Soc. 135 (2013) 13972.
NO3
J. Chem. Theory Comput. 9 (2013) 893.
H6C3O
Z. Phys. Chem.10 (2013) 1524.
H4C2, H6C3
J. Chem. Theory Comput. 9 (2013) 4116.
H2CO2
Chem. Lett. 43 (2014) 93.
PhCHO+C4H3O-OSiMe3+H2O
Chem. Asian J. 9 (2014) 305.
H8C5O
J. Comput. Chem. 35 (2014) 166.
Terpene
Chemical Science DOI:10.1039 (2014).
H6C6
Chem. Lett. 43 (2014) 702.
To be continued. （現在、整備中です。
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