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performing operations (946) 946
transporting (946) 946
vehicles in general (872) 872
arrangement or mounting of plural diverse prime-movers invehicles (868) 868
arrangement or mounting of propulsion units or oftransmissions in vehicles (868) 868
arrangements in connection with cooling, air intake, gasexhaust or fuel supply of propulsion units, in vehicles (868) 868
auxiliary drives for vehicles (868) 868
instrumentation or dashboards for vehicles (868) 868
conjoint control of vehicle sub-units of different type ordifferent function (572) 572
control systems specially adapted for hybrid vehicles (572) 572
road vehicle drive control systems for purposes not related tothe control of a particular sub-unit (572) 572
electric equipment or propulsion of electrically-propelledvehicles (408) 408
electrodynamic brake systems for vehicles, in general (408) 408
magnetic suspension or levitation for vehicles (408) 408
physics (303) 303
blasting (301) 301
heating (301) 301
lighting (301) 301
mechanical engineering (301) 301
weapons (301) 301
combustion engines (180) 180
hot-gas or combustion-product engine plants (180) 180
general tagging of cross-sectional technologies spanning over several sections of the ipc (164) 164
general tagging of new technological developments (164) 164
technical subjects covered by former uspc cross-reference art collections [xracs] and digests (164) 164
controlling combustion engines (163) 163
technologies or applications for mitigation or adaptation againstclimate change (159) 159
climate change mitigation technologies related totransportation (154) 154
fixed constructions (122) 122
construction of roads, railways, or bridges (103) 103
engineering elements and units (103) 103
general measures for producing and maintaining effectivefunctioning of machines or installations (103) 103
thermal insulation in general (103) 103
electricity (101) 101
construction of, or surfaces for, roads, sports grounds, orthe like (99) 99
machines or auxiliary tools for construction or repair (99) 99
measuring (99) 99
testing (99) 99
vehicles, vehicle fittings, or vehicle parts, not otherwiseprovided for (96) 96
signalling (93) 93
traffic control systems (92) 92
gearing (77) 77
conversion or distribution of electric power (62) 62
generation (62) 62
chemistry (60) 60
optics (49) 49
auxiliary operations used in connection with metal-workingwithout essentially removing material (48) 48
manufacture of metal sheets, wire, rods, tubes or profiles,otherwise than by rolling (48) 48
mechanical metal-working without essentially removingmaterial (48) 48
punching metal (48) 48
advertising (47) 47
calculating (47) 47
computing (47) 47
counting (47) 47
cryptography (47) 47
display (47) 47
education (47) 47
seals (47) 47
gyroscopic instruments (46) 46
measuring distances, levels or bearings (46) 46
navigation (46) 46
photogrammetry or videogrammetry (46) 46
surveying (46) 46
optical elements, systems, or apparatus (45) 45
science & technology (45) 45
physical sciences (42) 42
arrangement of braking elements on vehicles in general (39) 39
brake control systems or parts thereof, in general (39) 39
portable devices for preventing unwanted movement ofvehicles (39) 39
vehicle brake control systems or parts thereof (39) 39
vehicle modifications to facilitate cooling of brakes (39) 39
land vehicles for travelling otherwise than on rails (38) 38
arrangements or circuits for control of indicating devicesusing static means to present variable information (35) 35
acoustics (33) 33
musical instruments (33) 33
technical subjects covered by former uspc (33) 33
aids for music (32) 32
motor vehicles (32) 32
other auxiliary devices or accessories for music or musicalinstruments (32) 32
supports for musical instruments (32) 32
trailers (32) 32
circuit arrangements or systems for supplying or distributingelectric power (31) 31
systems for storing electric energy (31) 31
engine plants in general (30) 30
machines or engines in general (30) 30
steam engines (30) 30
electric digital data processing (28) 28
technical subjects covered by former uspc cross-reference artcollections [xracs] and digests (28) 28
basic electric elements (27) 27
brakes (27) 27
clutches (27) 27
controlling (27) 27
couplings for transmitting rotation (27) 27
electric communication technique (27) 27
regulating (27) 27
starting aids for such engines, not otherwise providedfor (26) 26
starting of combustion engines (26) 26
foundations (25) 25
control or regulation of electric motors, electric generatorsor dynamo-electric converters (24) 24
controlling transformers, reactors or choke coils (24) 24
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Journal of computational chemistry, ISSN 1096-987X, 01/2008, Volume 29, Issue 2, pp. 167 - 175
Journal Article
Molecular physics, ISSN 0026-8976, 02/2018, Volume 116, Issue 12, pp. 1523 - 1538
Journal Article
Journal of computational chemistry, ISSN 0192-8651, 11/2013, Volume 34, Issue 29, pp. 2568 - 2575
...‐of‐identity approximation (RI‐MP2) are developed for first‐, second‐, and third‐row elements, which are suitable for Pople‐type 6‐31G** and 6‐311G** basis sets. Atomic... 
RI‐MP2 | 6‐311G | 6‐31G | auxiliary basis set | Pople‐type basis set | Pople-type basis set | 6-311G | 6-31G | RI-MP2 | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Atoms & subatomic particles | Chemical bonds | Mathematical functions | Molecular chemistry | Approximation
Journal Article
Theoretical chemistry accounts, ISSN 1432-2234, 10/1997, Volume 97, Issue 1-4, pp. 119 - 124
We present auxilliary basis sets for the atoms H to At – excluding the Lanthanides... 
Auxiliary basis sets | RI density functional theory | Fitting basis sets | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology
Journal Article
Molecular physics, ISSN 1362-3028, 09/2013, Volume 111, Issue 16-17, pp. 2585 - 2593
A systematic way to construct compact complementary auxiliary basis sets (ABSs) from and for atomic natural orbital basis sets for the use as resolution-of-the-identity sets in explicitly correlated F12 calculations is presented... 
CABS | explicitly correlated coupled-cluster singles and doubles | complementary auxiliary basis | ANO | CCSD(F12) | atomic natural orbitals | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Parameter estimation | Nuclear magnetic resonance--NMR | Benchmarking
Journal Article
Theoretical chemistry accounts, ISSN 1432-881X, 1/2014, Volume 133, Issue 1, pp. 1 - 7
We propose dual functional copper complexes that may act both as reducing agents and as Cu sources for prospective Cu atomic layer deposition. The example here... 
Theoretical and Computational Chemistry | Chemistry | Cu | DFT | Physical Chemistry | Atomic/Molecular Structure and Spectra | ALD | Inorganic Chemistry | Carbene hydride | Organic Chemistry | Physical Sciences | Chemistry, Physical | Science & Technology | Thermodynamics | Chemical vapor deposition
Journal Article
Journal Article
Chemical physics, ISSN 0301-0104, 02/2009, Volume 356, Issue 1-3, pp. 86 - 90
We discuss a resolution of the Coulomb operator, r12-1=|ϕi〉〈ϕi|, into a one-particle basis. We show that the Laguerre polynomials generate a resolution with... 
Cholesky decomposition | Density fitting | Coulomb operator | Auxiliary basis sets | Kronecker product approximation | Resolution of the identity | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Dalton transactions : an international journal of inorganic chemistry, ISSN 1477-9226, 2011, Volume 40, Issue 20, pp. 5464 - 5475
The halide ligands of [Fe4C(CO)(12)(CuCl)(2)](2-) (1) and [Fe5C(CO)(14)CuCl](2-) (2) can be displaced by N-, P- or S-donors. Beside substitution, the clusters... 
Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Science & Technology | Pyrazines | Pyridines | Bridging | Clusters | Forming | Ligands | Iron | Copper
Journal Article
Journal Article
Journal of computational chemistry, ISSN 0192-8651, 09/2005, Volume 26, Issue 12, pp. 1242 - 1253
Journal Article
International journal of quantum chemistry, ISSN 0020-7608, 10/2007, Volume 107, Issue 11, pp. 2158 - 2168
...** atomic orbital basis sets were combined with different auxiliary sets including standard ones optimized for molecules... 
auxiliary basis sets | translational periodicity | density fitting | Density fitting | Translational periodicity | Auxiliary basis sets
Journal Article