Modeling hydroxyl and water H atoms
1999 ◽
Vol 32
(3)
◽
pp. 563-571
◽
Keyword(s):
The coordinates of hydroxyl (alcohol, phenol,etc.) and water H atoms can be easily calculated, within acceptable approximation, by combined geometric and force-field calculations on the basis of hydrogen-bonding interactions. To perform this kind of calculation the computer programHYDROGENhas been developed.
2004 ◽
Vol 47
(21)
◽
pp. 5114-5125
◽
2019 ◽
Vol 15
(5)
◽
pp. 3288-3305
◽
2019 ◽
Vol 16
(1)
◽
pp. 818-819
◽
1981 ◽
Vol 54
(7)
◽
pp. 2093-2098
◽
2013 ◽
Vol 69
(11)
◽
pp. 1217-1220
◽
Keyword(s):
2020 ◽
Keyword(s):
2020 ◽
Keyword(s):