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ACS电子期刊(320)
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在“
ACS电子期刊
”中,
命中:
320
条,耗时:0.0509754 秒
在所有数据库中总计命中:
2,508
条
1.
Intrin
s
ic Re
s
olution of Molecular Electronic Wave Function
s
and Energie
s
in Term
s
of Qua
s
i-atom
s
and Their Interaction
s
作者:
Aaron C. We
s
t
;
Michael W.
S
chmidt
;
Mark
S
.
Gordon
;
Klau
s
Ruedenberg
刊名:Journal of Phy
s
ical Chemi
s
try A
出版年:2017
2.
Voltage-Controlled Interfacial Layering in an Ionic Liquid on
S
rTiO3
作者:
Trevor A. Petach
;
Apurva Mehta
;
Ronald
Marks
;
Bart John
s
on
;
Michael F. Toney
;
David Goldhaber-
Gordon
刊名:AC
S
Nano
出版年:2016
3.
Computer-Aided Molecular De
s
ign of Bi
s
-pho
s
phine Oxide Lanthanide Extractant
s
作者:
Billy W. McCann
;
Nuwan De
S
ilva
;
There
s
a L. Windu
s
;
Mark
S
.
Gordon
;
Bruce A. Moyer
;
Vyache
s
lav S. Bryant
s
ev
;
Benjamin P. Hay
刊名:Inorganic Chemi
s
try
出版年:2016
4.
S
pin-Free [2]R12 Ba
s
i
s
Set Incompletene
ss
Correction to the Local Multireference Configuration Interaction and the Local Multireference Average Coupled Pair Functional Method
s
作者:
Luke B. Ro
s
kop
;
Edward F. Valeev
;
Emily A. Carter
;
Mark
S
.
Gordon
;
There
s
a L. Windu
s
刊名:Journal of Chemical Theory and Computation
出版年:2016
5.
Ab Initio Multiple
S
pawning Method for Inter
s
y
s
tem Cro
ss
ing Dynamic
s
: Spin-Forbidden Tran
s
ition
s
between 3B1 and 1A1 State
s
of GeH2
作者:
Dmitry A. Fedorov
;
S
pencer R. Pruitt
;
Kri
s
topher Keipert
;
Mark
S
.
Gordon
;
S
ergey A. Varganov
刊名:Journal of Phy
s
ical Chemi
s
try A
出版年:2016
6.
G
S
K6853, a Chemical Probe for Inhibition of the BRPF1 Bromodomain
作者:
Paul Bamborough
;
Heather A. Barnett
;
I
s
abelle Becher
;
Mark
J. Bird
;
Chun-wa Chung
;
Peter D. Cragg
s
;
Emmanuel H. Demont
;
Hawa Diallo
;
David J. Fallon
;
Laurie J.
Gordon
;
Paola Grandi
;
Clare I. Hobb
s
;
Edward Hooper-Greenhill
;
Emma J. Jone
s
;
Robert P. Law
;
Armelle Le Gall
;
David Lugo
;
Anne-Marie Michon
;
Darren J. Mitchell
;
Rab K. Prinjha
;
Robert J.
S
heppard
;
Allan J. B. Wat
s
on
;
Robert J. Wat
s
on
刊名:AC
S
Medicinal Chemi
s
try Letter
s
出版年:2016
7.
S
ilanol-A
ss
i
s
ted Carbinolamine Formation in an Amine-Functionalized Me
s
oporou
s
Silica Surface: Theoretical Inve
s
tigation by Fragmentation Method
s
作者:
Ana P. de Lima Bati
s
ta
;
Federico Zahariev
;
Igor I.
S
lowing
;
Ataualpa A. C. Braga
;
Fernando R. Ornella
s
;
Mark
S
.
Gordon
刊名:Journal of Phy
s
ical Chemi
s
try B
出版年:2016
8.
Importance of Three-Body Interaction
s
in Molecular Dynamic
s
Simulation
s
of Water Demon
s
trated with the Fragment Molecular Orbital Method
作者:
S
pencer R. Pruitt
;
Hiroya Nakata
;
Take
s
hi Nagata
;
Maricri
s
Maye
s
;
Yuri Alexeev
;
Graham Fletcher
;
Dmitri G. Fedorov
;
Kazuo Kitaura
;
Mark
S
.
Gordon
刊名:Journal of Chemical Theory and Computation
出版年:2016
9.
Derivation and Implementation of the Gradient of the R–7 Di
s
per
s
ion Interaction in the Effective Fragment Potential Method
作者:
Emilie B Guidez
;
Peng Xu
;
Mark
S
.
Gordon
刊名:Journal of Phy
s
ical Chemi
s
try A
出版年:2016
10.
Ab Initio Inve
s
tigation of Cation Proton Affinity and Proton Tran
s
fer Energy for Energetic Ionic Liquid
s
作者:
Caleb M. Carlin
;
Mark
S
.
Gordon
刊名:Journal of Phy
s
ical Chemi
s
try A
出版年:2016
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