Last update: Sun Jun 2 02:01:03 MDT 2019
Top |
Symbols |
Math |
A |
B |
C |
D |
E |
F |
G |
H |
I |
J |
K |
L |
M |
N |
O |
P |
Q |
R |
S |
T |
U |
V |
W |
X |
Y |
Z
BibTeX entry
@Article{Eggenberger:1993:UMD,
author = "Rolf Eggenberger and Stefan Gerber and Hanspeter Huber
and Debra Searles and Marc Welker",
title = "Use of molecular dynamics simulations with ab initio
{SCF} calculations for the determination of the
deuterium quadrupole coupling constant in liquid water
and bond lengths in ice",
journal = j-J-COMPUT-CHEM,
volume = "14",
number = "12",
pages = "1553--1560",
month = dec,
year = "1993",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/jcc.540141218",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 14:54:24 MST 2012",
bibsource = "http://www.interscience.wiley.com/jpages/0192-8651;
http://www.math.utah.edu/pub/tex/bib/jcomputchem1990.bib",
acknowledgement = ack-nhfb,
fjournal = "Journal of Computational Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651",
onlinedate = "7 Sep 2004",
}
Related entries
- bond,
11(3)396,
11(8)952,
11(10)1160,
11(10)1217,
12(5)546,
12(6)690,
12(6)697,
12(6)742,
13(4)399,
13(6)722,
13(7)860,
13(7)912,
13(10)1184,
14(4)379,
14(4)471,
14(5)556,
14(8)881,
15(2)183,
15(3)313,
15(5)553,
15(6)644,
15(9)919,
15(10)1091,
15(12)1357,
15(12)1365,
16(10)1227,
17(2)133,
17(3)313,
17(5)747,
18(9)1124,
18(9)1245,
18(12)1513,
18(13)1664,
18(16)2075,
19(2)154,
19(2)181,
19(6)610,
19(8)935,
19(8)947,
19(12)1345,
20(8)760,
20(10)1067,
20(10)1085,
20(13)1444,
20(14)1517,
20(15)1644
- constant,
11(1)88,
11(9)1009,
12(1)52,
12(2)141,
12(3)391,
12(5)536,
12(6)761,
12(9)1125,
13(9)1103,
13(9)1142,
14(6)751,
15(11)1291,
16(4)449,
16(8)923,
18(10)1253,
18(13)1664,
18(16)2050,
19(2)181,
19(9)1039,
19(10)1187,
20(5)531,
20(13)1391,
20(13)1412,
20(16)1685
- coupling,
11(5)576,
12(2)141,
19(2)181,
19(3)368,
20(10)989,
20(12)1262,
20(12)1292,
20(12)1314,
20(13)1391
- determination,
12(2)276,
12(7)891,
13(1)1,
13(7)821,
14(11)1385,
14(12)1482,
16(4)478,
16(6)743,
16(8)1011,
17(4)409,
18(7)874,
19(2)232,
20(14)1571
- ice,
19(7)726
- length,
11(8)952,
11(10)1160,
17(5)747,
19(8)935,
20(10)1018
- liquid,
11(8)958,
13(5)651,
13(8)963,
14(2)206,
16(11)1420,
16(11)1428,
17(1)19,
18(3)381,
20(10)1009
- quadrupole,
12(1)91
- SCF,
11(1)1,
12(9)1058,
12(9)1147,
13(2)160,
14(4)401,
14(7)818,
14(10)1142,
14(10)1234,
16(1)91,
16(2)146,
17(12)1481,
18(5)694,
18(6)816
- use,
11(3)314,
11(3)382,
11(5)654,
11(8)909,
11(10)1147,
12(3)402,
12(6)731,
12(8)943,
12(10)1232,
14(1)30,
14(2)216,
14(3)349,
14(9)1042,
14(11)1364,
15(10)1139,
16(3)385,
16(12)1449,
17(10)1197,
17(12)1453,
18(1)115,
18(2)211,
18(2)240,
19(7)685,
19(11)1278,
19(15)1758,
19(16)1877,
20(9)911,
20(14)1537
- water,
11(10)1169,
12(1)42,
12(10)1165,
13(4)468,
13(5)651,
13(8)952,
13(9)1037,
14(7)848,
14(11)1326,
14(11)1396,
16(4)501,
16(8)951,
16(9)1164,
16(11)1428,
17(1)19,
17(2)148,
17(7)878,
17(9)1099,
17(13)1520,
17(15)1757,
18(13)1656,
19(1)60,
19(10)1179,
20(5)531,
20(9)928